data_DRA # _chem_comp.id DRA _chem_comp.name 11-DEOXY-BETA-RHODOMYCIN _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C40 H51 N O14" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2004-09-24 _chem_comp.pdbx_modified_date 2011-06-04 _chem_comp.pdbx_ambiguous_flag N _chem_comp.pdbx_release_status REL _chem_comp.pdbx_replaced_by ? _chem_comp.pdbx_replaces ? _chem_comp.formula_weight 769.831 _chem_comp.one_letter_code ? _chem_comp.three_letter_code DRA _chem_comp.pdbx_model_coordinates_details ? _chem_comp.pdbx_model_coordinates_missing_flag N _chem_comp.pdbx_ideal_coordinates_details ? _chem_comp.pdbx_ideal_coordinates_missing_flag N _chem_comp.pdbx_model_coordinates_db_code 1XDS _chem_comp.pdbx_subcomponent_list ? _chem_comp.pdbx_processing_site RCSB # loop_ _chem_comp_atom.comp_id _chem_comp_atom.atom_id _chem_comp_atom.alt_atom_id _chem_comp_atom.type_symbol _chem_comp_atom.charge _chem_comp_atom.pdbx_align _chem_comp_atom.pdbx_aromatic_flag _chem_comp_atom.pdbx_leaving_atom_flag _chem_comp_atom.pdbx_stereo_config _chem_comp_atom.model_Cartn_x _chem_comp_atom.model_Cartn_y _chem_comp_atom.model_Cartn_z _chem_comp_atom.pdbx_model_Cartn_x_ideal _chem_comp_atom.pdbx_model_Cartn_y_ideal _chem_comp_atom.pdbx_model_Cartn_z_ideal _chem_comp_atom.pdbx_component_atom_id _chem_comp_atom.pdbx_component_comp_id _chem_comp_atom.pdbx_ordinal DRA O4 O4 O 0 1 N N N 45.417 41.740 108.069 -7.299 4.678 -1.027 O4 DRA 1 DRA C4 C4 C 0 1 Y N N 44.871 40.962 107.248 -8.059 3.741 -0.409 C4 DRA 2 DRA C3 C3 C 0 1 Y N N 44.099 41.505 106.235 -9.405 3.989 -0.152 C3 DRA 3 DRA C2 C2 C 0 1 Y N N 43.495 40.659 105.317 -10.183 3.037 0.477 C2 DRA 4 DRA C16 C16 C 0 1 Y N N 45.027 39.577 107.329 -7.497 2.520 -0.027 C16 DRA 5 DRA C15 C15 C 0 1 Y N N 44.415 38.715 106.403 -8.296 1.554 0.614 C15 DRA 6 DRA C1 C1 C 0 1 Y N N 43.647 39.279 105.395 -9.638 1.823 0.861 C1 DRA 7 DRA C5 C5 C 0 1 N N N 45.849 39.007 108.416 -6.073 2.234 -0.289 C5 DRA 8 DRA O5 O5 O 0 1 N N N 46.411 39.730 109.262 -5.314 3.130 -0.605 O5 DRA 9 DRA C17 C17 C 0 1 Y N N 45.995 37.548 108.476 -5.581 0.849 -0.164 C17 DRA 10 DRA C18 C18 C 0 1 Y N N 45.313 36.700 107.464 -6.378 -0.121 0.475 C18 DRA 11 DRA C12 C12 C 0 1 N N N 44.552 37.306 106.455 -7.701 0.262 1.016 C12 DRA 12 DRA O12 O12 O 0 1 N N N 43.988 36.589 105.584 -8.290 -0.477 1.780 O12 DRA 13 DRA C6 C6 C 0 1 Y N N 46.751 36.979 109.473 -4.335 0.484 -0.670 C6 DRA 14 DRA O6 O6 O 0 1 N N N 47.317 37.782 110.354 -3.558 1.410 -1.284 O6 DRA 15 DRA C20 C20 C 0 1 Y N N 46.906 35.601 109.557 -3.882 -0.835 -0.547 C20 DRA 16 DRA C19 C19 C 0 1 Y N N 46.270 34.789 108.619 -4.668 -1.778 0.072 C19 DRA 17 DRA C11 C11 C 0 1 Y N N 45.492 35.321 107.575 -5.914 -1.422 0.587 C11 DRA 18 DRA C10 C10 C 0 1 N N R 46.478 33.310 108.723 -4.243 -3.216 0.221 C10 DRA 19 DRA O10 O10 O 0 1 N N N 47.261 32.912 107.879 -4.928 -4.012 -0.749 O10 DRA 20 DRA C9 C9 C 0 1 N N R 46.706 32.808 110.128 -2.737 -3.358 0.013 C9 DRA 21 DRA O9 O9 O 0 1 N N N 45.673 33.316 110.994 -2.041 -2.740 1.098 O9 DRA 22 DRA C13 C13 C 0 1 N N N 46.762 31.276 110.304 -2.364 -4.840 -0.061 C13 DRA 23 DRA C14 C14 C 0 1 N N N 47.112 30.429 109.093 -2.863 -5.555 1.196 C14 DRA 24 DRA C8 C8 C 0 1 N N N 47.990 33.515 110.531 -2.363 -2.664 -1.302 C8 DRA 25 DRA C7 C7 C 0 1 N N S 47.732 35.020 110.668 -2.523 -1.157 -1.113 C7 DRA 26 DRA O7 O7 O 0 1 N N N 47.026 35.189 111.896 -1.516 -0.685 -0.217 O7 DRA 27 DRA "C1'" C1* C 0 1 N N R 47.821 35.347 113.077 -0.547 0.003 -1.010 "C1'" DRA 28 DRA "C2'" C2* C 0 1 N N N 47.814 36.828 113.424 0.374 0.816 -0.096 "C2'" DRA 29 DRA "C3'" C3* C 0 1 N N S 46.408 37.204 113.888 1.060 -0.132 0.894 "C3'" DRA 30 DRA "N3'" N3* N 0 1 N N N 46.406 38.664 114.029 2.058 0.609 1.676 "N3'" DRA 31 DRA "C7'" C7* C 0 1 N N N 46.040 39.356 113.024 1.394 1.825 2.165 "C7'" DRA 32 DRA "C8'" C8* C 0 1 N N N 46.786 39.242 115.089 2.363 -0.210 2.856 "C8'" DRA 33 DRA "O5'" O5* O 0 1 N N N 47.272 34.554 114.152 0.222 -0.945 -1.748 "O5'" DRA 34 DRA "C5'" C5* C 0 1 N N S 45.964 34.957 114.615 0.723 -1.908 -0.825 "C5'" DRA 35 DRA "C6'" C6* C 0 1 N N N 45.429 33.984 115.660 1.392 -3.049 -1.594 "C6'" DRA 36 DRA "C4'" C4* C 0 1 N N S 46.111 36.373 115.148 1.747 -1.252 0.104 "C4'" DRA 37 DRA "O4'" O4* O 0 1 N N N 47.207 36.332 116.076 2.816 -0.703 -0.671 "O4'" DRA 38 DRA C31 C31 C 0 1 N N S 46.918 36.479 117.501 3.860 -1.679 -0.683 C31 DRA 39 DRA C32 C32 C 0 1 N N N 46.906 35.255 118.406 4.833 -1.368 -1.822 C32 DRA 40 DRA C33 C33 C 0 1 N N S 47.922 35.437 119.536 5.409 0.038 -1.616 C33 DRA 41 DRA O16 O16 O 0 1 N N N 47.793 34.407 120.507 6.428 0.285 -2.587 O16 DRA 42 DRA O11 O11 O 0 1 N N N 47.060 37.810 118.090 4.551 -1.650 0.564 O11 DRA 43 DRA C34 C34 C 0 1 N N S 48.015 37.898 119.160 4.942 -0.301 0.810 C34 DRA 44 DRA C36 C36 C 0 1 N N N 47.946 39.304 119.760 5.517 -0.189 2.223 C36 DRA 45 DRA C35 C35 C 0 1 N N R 47.753 36.799 120.201 6.005 0.123 -0.207 C35 DRA 46 DRA O13 O13 O 0 1 N N N 48.630 36.889 121.334 6.414 1.466 0.059 O13 DRA 47 DRA C37 C37 C 0 1 N N R 49.410 36.387 121.749 7.813 1.535 -0.227 C37 DRA 48 DRA O14 O14 O 0 1 N N N 48.750 35.784 122.950 8.529 0.741 0.715 O14 DRA 49 DRA C39 C39 C 0 1 N N R 49.327 34.603 123.720 9.871 0.611 0.242 C39 DRA 50 DRA C41 C41 C 0 1 N N N 48.601 34.120 125.059 10.672 -0.272 1.202 C41 DRA 51 DRA C38 C38 C 0 1 N N N 50.798 36.832 122.210 8.276 2.992 -0.144 C38 DRA 52 DRA C40 C40 C 0 1 N N N 51.571 35.591 122.689 9.747 3.066 -0.579 C40 DRA 53 DRA C42 C42 C 0 1 N N N 50.835 34.917 123.850 10.499 1.986 0.175 C42 DRA 54 DRA O15 O15 O 0 1 N N N 51.430 34.687 124.897 11.560 2.215 0.703 O15 DRA 55 DRA HO4 HO4 H 0 1 N N N 45.947 41.367 108.764 -7.366 4.511 -1.977 HO4 DRA 56 DRA H3 H3 H 0 1 N N N 43.967 42.598 106.160 -9.843 4.931 -0.446 H3 DRA 57 DRA H2 H2 H 0 1 N N N 42.882 41.092 104.509 -11.225 3.242 0.671 H2 DRA 58 DRA H1 H1 H 0 1 N N N 43.155 38.628 104.653 -10.255 1.085 1.352 H1 DRA 59 DRA HO6 HO6 H 0 1 N N N 47.840 37.389 111.043 -3.789 1.391 -2.223 HO6 DRA 60 DRA H11 H11 H 0 1 N N N 45.019 34.651 106.837 -6.522 -2.167 1.078 H11 DRA 61 DRA H10 H10 H 0 1 N N N 45.507 32.823 108.473 -4.502 -3.566 1.220 H10 DRA 62 DRA HO0 HO0 H 0 1 N N N 47.393 31.974 107.945 -5.874 -3.912 -0.575 HO0 DRA 63 DRA HO9 HO9 H 0 1 N N N 45.817 33.000 111.878 -2.313 -3.201 1.903 HO9 DRA 64 DRA H131 1H13 H 0 0 N N N 45.794 30.922 110.729 -1.280 -4.938 -0.129 H131 DRA 65 DRA H132 2H13 H 0 0 N N N 47.462 31.030 111.136 -2.826 -5.287 -0.941 H132 DRA 66 DRA H141 1H14 H 0 0 N N N 48.080 30.783 108.668 -2.401 -5.107 2.076 H141 DRA 67 DRA H142 2H14 H 0 0 N N N 47.153 29.322 109.220 -3.946 -5.456 1.265 H142 DRA 68 DRA H143 3H14 H 0 0 N N N 46.412 30.675 108.261 -2.597 -6.610 1.143 H143 DRA 69 DRA H81 1H8 H 0 1 N N N 48.828 33.295 109.829 -1.329 -2.895 -1.558 H81 DRA 70 DRA H82 2H8 H 0 1 N N N 48.436 33.080 111.456 -3.023 -3.007 -2.099 H82 DRA 71 DRA H7 H7 H 0 1 N N N 48.711 35.552 110.633 -2.408 -0.660 -2.077 H7 DRA 72 DRA "H1'" H1* H 0 1 N N N 48.867 34.997 112.912 -1.055 0.674 -1.701 "H1'" DRA 73 DRA "H2'1" 1H2* H 0 0 N N N 48.175 37.468 112.585 1.128 1.324 -0.697 "H2'1" DRA 74 DRA "H2'2" 2H2* H 0 0 N N N 48.599 37.099 114.168 -0.215 1.552 0.452 "H2'2" DRA 75 DRA "H3'" H3* H 0 1 N N N 45.575 36.964 113.187 0.315 -0.562 1.565 "H3'" DRA 76 DRA "H7'1" 1H7* H 0 0 N N N 45.030 39.018 112.693 0.480 1.552 2.693 "H7'1" DRA 77 DRA "H7'2" 2H7* H 0 0 N N N 46.039 40.466 113.131 2.061 2.356 2.843 "H7'2" DRA 78 DRA "H7'3" 3H7* H 0 0 N N N 46.657 39.073 112.139 1.146 2.468 1.321 "H7'3" DRA 79 DRA "H8'1" 1H8* H 0 0 N N N 47.816 38.882 115.320 2.814 -1.150 2.540 "H8'1" DRA 80 DRA "H8'2" 2H8* H 0 0 N N N 46.785 40.352 115.196 3.058 0.328 3.502 "H8'2" DRA 81 DRA "H8'3" 3H8* H 0 0 N N N 46.194 38.820 115.935 1.443 -0.414 3.404 "H8'3" DRA 82 DRA "H5'" H5* H 0 1 N N N 45.214 34.940 113.790 -0.101 -2.305 -0.232 "H5'" DRA 83 DRA "H6'1" 1H6* H 0 0 N N N 46.143 33.857 116.507 1.793 -3.777 -0.889 "H6'1" DRA 84 DRA "H6'2" 2H6* H 0 0 N N N 44.420 34.295 116.017 0.658 -3.532 -2.238 "H6'2" DRA 85 DRA "H6'3" 3H6* H 0 0 N N N 45.426 32.935 115.281 2.203 -2.649 -2.204 "H6'3" DRA 86 DRA "H4'" H4* H 0 1 N N N 45.232 36.802 115.684 2.142 -1.996 0.795 "H4'" DRA 87 DRA H31 H31 H 0 1 N N N 45.807 36.458 117.415 3.429 -2.669 -0.835 H31 DRA 88 DRA H321 1H32 H 0 0 N N N 47.076 34.311 117.837 5.643 -2.098 -1.819 H321 DRA 89 DRA H322 2H32 H 0 0 N N N 45.885 35.029 118.792 4.306 -1.410 -2.775 H322 DRA 90 DRA H33 H33 H 0 1 N N N 48.941 35.379 119.088 4.615 0.777 -1.723 H33 DRA 91 DRA HO16 6HO1 H 0 0 N N N 48.424 34.520 121.208 6.011 0.210 -3.456 HO16 DRA 92 DRA H34 H34 H 0 1 N N N 49.049 37.731 118.778 4.074 0.351 0.720 H34 DRA 93 DRA H361 1H36 H 0 0 N N N 46.915 39.581 120.083 5.708 0.858 2.456 H361 DRA 94 DRA H362 2H36 H 0 0 N N N 48.687 39.372 120.590 4.804 -0.597 2.939 H362 DRA 95 DRA H363 3H36 H 0 0 N N N 48.086 40.103 118.995 6.450 -0.750 2.282 H363 DRA 96 DRA H35 H35 H 0 1 N N N 46.713 36.933 120.579 6.865 -0.542 -0.134 H35 DRA 97 DRA H37 H37 H 0 1 N N N 49.805 35.885 120.835 7.995 1.155 -1.233 H37 DRA 98 DRA H39 H39 H 0 1 N N N 49.130 33.669 123.144 9.869 0.161 -0.751 H39 DRA 99 DRA H411 1H41 H 0 0 N N N 47.530 33.910 124.831 10.670 0.177 2.196 H411 DRA 100 DRA H412 2H41 H 0 0 N N N 49.023 33.256 125.623 10.219 -1.262 1.250 H412 DRA 101 DRA H413 3H41 H 0 0 N N N 48.510 34.989 125.751 11.698 -0.359 0.845 H413 DRA 102 DRA H381 1H38 H 0 0 N N N 50.756 37.636 122.982 7.667 3.608 -0.806 H381 DRA 103 DRA H382 2H38 H 0 0 N N N 51.348 37.403 121.426 8.179 3.348 0.882 H382 DRA 104 DRA H401 1H40 H 0 0 N N N 52.626 35.836 122.953 9.825 2.892 -1.652 H401 DRA 105 DRA H402 2H40 H 0 0 N N N 51.770 34.879 121.855 10.158 4.045 -0.331 H402 DRA 106 # loop_ _chem_comp_bond.comp_id _chem_comp_bond.atom_id_1 _chem_comp_bond.atom_id_2 _chem_comp_bond.value_order _chem_comp_bond.pdbx_aromatic_flag _chem_comp_bond.pdbx_stereo_config _chem_comp_bond.pdbx_ordinal DRA O4 C4 SING N N 1 DRA O4 HO4 SING N N 2 DRA C4 C3 DOUB Y N 3 DRA C4 C16 SING Y N 4 DRA C3 C2 SING Y N 5 DRA C3 H3 SING N N 6 DRA C2 C1 DOUB Y N 7 DRA C2 H2 SING N N 8 DRA C16 C15 DOUB Y N 9 DRA C16 C5 SING N N 10 DRA C15 C1 SING Y N 11 DRA C15 C12 SING N N 12 DRA C1 H1 SING N N 13 DRA C5 O5 DOUB N N 14 DRA C5 C17 SING N N 15 DRA C17 C18 DOUB Y N 16 DRA C17 C6 SING Y N 17 DRA C18 C12 SING N N 18 DRA C18 C11 SING Y N 19 DRA C12 O12 DOUB N N 20 DRA C6 O6 SING N N 21 DRA C6 C20 DOUB Y N 22 DRA O6 HO6 SING N N 23 DRA C20 C19 SING Y N 24 DRA C20 C7 SING N N 25 DRA C19 C11 DOUB Y N 26 DRA C19 C10 SING N N 27 DRA C11 H11 SING N N 28 DRA C10 O10 SING N N 29 DRA C10 C9 SING N N 30 DRA C10 H10 SING N N 31 DRA O10 HO0 SING N N 32 DRA C9 O9 SING N N 33 DRA C9 C13 SING N N 34 DRA C9 C8 SING N N 35 DRA O9 HO9 SING N N 36 DRA C13 C14 SING N N 37 DRA C13 H131 SING N N 38 DRA C13 H132 SING N N 39 DRA C14 H141 SING N N 40 DRA C14 H142 SING N N 41 DRA C14 H143 SING N N 42 DRA C8 C7 SING N N 43 DRA C8 H81 SING N N 44 DRA C8 H82 SING N N 45 DRA C7 O7 SING N N 46 DRA C7 H7 SING N N 47 DRA O7 "C1'" SING N N 48 DRA "C1'" "C2'" SING N N 49 DRA "C1'" "O5'" SING N N 50 DRA "C1'" "H1'" SING N N 51 DRA "C2'" "C3'" SING N N 52 DRA "C2'" "H2'1" SING N N 53 DRA "C2'" "H2'2" SING N N 54 DRA "C3'" "N3'" SING N N 55 DRA "C3'" "C4'" SING N N 56 DRA "C3'" "H3'" SING N N 57 DRA "N3'" "C7'" SING N N 58 DRA "N3'" "C8'" SING N N 59 DRA "C7'" "H7'1" SING N N 60 DRA "C7'" "H7'2" SING N N 61 DRA "C7'" "H7'3" SING N N 62 DRA "C8'" "H8'1" SING N N 63 DRA "C8'" "H8'2" SING N N 64 DRA "C8'" "H8'3" SING N N 65 DRA "O5'" "C5'" SING N N 66 DRA "C5'" "C6'" SING N N 67 DRA "C5'" "C4'" SING N N 68 DRA "C5'" "H5'" SING N N 69 DRA "C6'" "H6'1" SING N N 70 DRA "C6'" "H6'2" SING N N 71 DRA "C6'" "H6'3" SING N N 72 DRA "C4'" "O4'" SING N N 73 DRA "C4'" "H4'" SING N N 74 DRA "O4'" C31 SING N N 75 DRA C31 C32 SING N N 76 DRA C31 O11 SING N N 77 DRA C31 H31 SING N N 78 DRA C32 C33 SING N N 79 DRA C32 H321 SING N N 80 DRA C32 H322 SING N N 81 DRA C33 O16 SING N N 82 DRA C33 C35 SING N N 83 DRA C33 H33 SING N N 84 DRA O16 HO16 SING N N 85 DRA O11 C34 SING N N 86 DRA C34 C36 SING N N 87 DRA C34 C35 SING N N 88 DRA C34 H34 SING N N 89 DRA C36 H361 SING N N 90 DRA C36 H362 SING N N 91 DRA C36 H363 SING N N 92 DRA C35 O13 SING N N 93 DRA C35 H35 SING N N 94 DRA O13 C37 SING N N 95 DRA C37 O14 SING N N 96 DRA C37 C38 SING N N 97 DRA C37 H37 SING N N 98 DRA O14 C39 SING N N 99 DRA C39 C41 SING N N 100 DRA C39 C42 SING N N 101 DRA C39 H39 SING N N 102 DRA C41 H411 SING N N 103 DRA C41 H412 SING N N 104 DRA C41 H413 SING N N 105 DRA C38 C40 SING N N 106 DRA C38 H381 SING N N 107 DRA C38 H382 SING N N 108 DRA C40 C42 SING N N 109 DRA C40 H401 SING N N 110 DRA C40 H402 SING N N 111 DRA C42 O15 DOUB N N 112 # loop_ _pdbx_chem_comp_descriptor.comp_id _pdbx_chem_comp_descriptor.type _pdbx_chem_comp_descriptor.program _pdbx_chem_comp_descriptor.program_version _pdbx_chem_comp_descriptor.descriptor DRA SMILES ACDLabs 10.04 "O=C2c1cc7c(c(O)c1C(=O)c3c2cccc3O)C(OC6OC(C(OC5OC(C(OC4OC(C(=O)CC4)C)C(O)C5)C)C(N(C)C)C6)C)CC(O)(CC)C7O" DRA SMILES_CANONICAL CACTVS 3.341 "CC[C@@]1(O)C[C@H](O[C@H]2C[C@@H]([C@H](O[C@H]3C[C@H](O)[C@@H](O[C@H]4CCC(=O)[C@@H](C)O4)[C@H](C)O3)[C@H](C)O2)N(C)C)c5c(O)c6C(=O)c7c(O)cccc7C(=O)c6cc5[C@H]1O" DRA SMILES CACTVS 3.341 "CC[C]1(O)C[CH](O[CH]2C[CH]([CH](O[CH]3C[CH](O)[CH](O[CH]4CCC(=O)[CH](C)O4)[CH](C)O3)[CH](C)O2)N(C)C)c5c(O)c6C(=O)c7c(O)cccc7C(=O)c6cc5[CH]1O" DRA SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "CC[C@]1(C[C@@H](c2c(cc3c(c2O)C(=O)c4c(cccc4O)C3=O)[C@H]1O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7CCC(=O)[C@H](O7)C)O)N(C)C)O" DRA SMILES "OpenEye OEToolkits" 1.5.0 "CCC1(CC(c2c(cc3c(c2O)C(=O)c4c(cccc4O)C3=O)C1O)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC7CCC(=O)C(O7)C)O)N(C)C)O" DRA InChI InChI 1.03 ;InChI=1S/C40H51NO14/c1-7-40(49)16-27(32-22(39(40)48)13-21-33(36(32)47)35(46)31-20(34(21)45)9-8-10-25(31)43)53-29-14-23(41(5)6)37(18(3)51-29)55-30-15-26(44)38(19(4)52-30)54-28-12-11-24(42)17(2)50-28/h8-10,13,17-19,23,26-30,37-39,43-44,47-49H,7,11-12,14-16H2,1-6H3/t17-,18+,19+,23+,26+,27+,28+,29+,30+,37-,38+,39-,40-/m1/s1 ; DRA InChIKey InChI 1.03 OQDCVONZQOVIMP-UNQJTBPASA-N # loop_ _pdbx_chem_comp_identifier.comp_id _pdbx_chem_comp_identifier.type _pdbx_chem_comp_identifier.program _pdbx_chem_comp_identifier.program_version _pdbx_chem_comp_identifier.identifier DRA "SYSTEMATIC NAME" ACDLabs 10.04 "(1S,3R,4R)-3-ethyl-3,4,10,12-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-4-O-{2,6-dideoxy-4-O-[(2R,6R)-6-methyl-5-oxotetrahydro-2H-pyran-2-yl]-alpha-L-arabino-hexopyranosyl}-3-(dimethylamino)-alpha-L-lyxo-hexopyranoside" DRA "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "(7S,9R,10R)-7-[(2R,4S,5S,6S)-4-dimethylamino-5-[(2S,4S,5R,6S)-4-hydroxy-6-methyl-5-[(2R,6R)-6-methyl-5-oxo-oxan-2-yl]oxy-oxan-2-yl]oxy-6-methyl-oxan-2-yl]oxy-9-ethyl-4,6,9,10-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione" # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site DRA "Create component" 2004-09-24 RCSB DRA "Modify descriptor" 2011-06-04 RCSB #