data_HEH # _chem_comp.id HEH _chem_comp.name HEDAMYCIN _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C41 H52 N2 O11" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge 2 _chem_comp.pdbx_initial_date 2001-07-02 _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 748.858 _chem_comp.one_letter_code ? _chem_comp.three_letter_code HEH _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 ? _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 HEH CCB C12B C 0 1 Y N N 0.405 -1.507 0.502 -3.252 -1.708 -0.040 CCB HEH 1 HEH O1 O1 O 0 1 Y N N 1.602 -1.647 1.151 -4.063 -0.666 -0.304 O1 HEH 2 HEH C2 C2 C 0 1 Y N N 2.186 -2.889 1.442 -5.364 -0.819 -0.572 C2 HEH 3 HEH C3 C3 C 0 1 Y N N 1.524 -4.045 1.071 -5.967 -2.022 -0.600 C3 HEH 4 HEH C4 C4 C 0 1 Y N N 0.239 -3.978 0.381 -5.209 -3.193 -0.335 C4 HEH 5 HEH O4 O4 O 0 1 N N N -0.368 -4.992 0.059 -5.722 -4.298 -0.350 O4 HEH 6 HEH C4A C4A C 0 1 Y N N -0.328 -2.679 0.087 -3.772 -3.014 -0.040 C4A HEH 7 HEH C5 C5 C 0 1 Y N N -1.561 -2.524 -0.613 -2.948 -4.104 0.232 C5 HEH 8 HEH C13 C13 C 0 1 N N N -2.344 -3.717 -1.115 -3.520 -5.498 0.230 C13 HEH 9 HEH C6 C6 C 0 1 Y N N -2.045 -1.246 -0.884 -1.608 -3.908 0.503 C6 HEH 10 HEH C6A C6A C 0 1 Y N N -1.354 -0.081 -0.488 -1.073 -2.621 0.506 C6A HEH 11 HEH C7 C7 C 0 1 N N N -1.898 1.211 -0.816 0.366 -2.411 0.793 C7 HEH 12 HEH O7C O7C O 0 1 N N N -2.948 1.252 -1.446 1.035 -3.307 1.269 O7C HEH 13 HEH C7A C7A C 0 1 Y N N -1.217 2.431 -0.419 0.977 -1.100 0.489 C7A HEH 14 HEH C8 C8 C 0 1 Y N N -1.719 3.737 -0.710 2.358 -0.949 0.476 C8 HEH 15 HEH C9 C9 C 0 1 Y N N -1.046 4.861 -0.225 2.916 0.289 0.194 C9 HEH 16 HEH C10 C10 C 0 1 Y N N 0.129 4.781 0.524 2.112 1.378 -0.068 C10 HEH 17 HEH C11 C11 C 0 1 Y N N 0.655 3.508 0.786 0.725 1.250 -0.056 C11 HEH 18 HEH O11 O11D O 0 1 N N N 1.811 3.441 1.544 -0.062 2.323 -0.316 O11 HEH 19 HEH CBA C11A C 0 1 Y N N 0.016 2.324 0.323 0.149 0.009 0.226 CBA HEH 20 HEH CCA C12A C 0 1 Y N N -0.112 -0.186 0.221 -1.894 -1.513 0.236 CCA HEH 21 HEH C12 C12 C 0 1 N N N 0.571 1.020 0.619 -1.317 -0.154 0.244 C12 HEH 22 HEH OCC O12C O 0 1 N N N 1.658 0.946 1.187 -2.044 0.821 0.264 OCC HEH 23 HEH C6E C6E C 0 1 N N R -2.861 3.977 -1.687 3.249 -2.130 0.761 C6E HEH 24 HEH O1E O1E O 0 1 N N N -2.758 5.294 -2.199 4.535 -1.667 1.168 O1E HEH 25 HEH C2E C2E C 0 1 N N R -3.518 5.584 -3.352 5.286 -2.801 1.598 C2E HEH 26 HEH C1X 1CEM C 0 1 N N N -3.175 7.025 -3.756 6.602 -2.333 2.223 C1X HEH 27 HEH C3E C3E C 0 1 N N S -5.010 5.379 -3.030 5.585 -3.706 0.401 C3E HEH 28 HEH O3E O3E O 0 1 N N N -5.826 5.446 -4.186 6.362 -4.826 0.831 O3E HEH 29 HEH C4E C4E C 0 1 N N R -5.227 3.999 -2.385 4.262 -4.199 -0.196 C4E HEH 30 HEH N4E N4E N 1 1 N N N -6.648 3.610 -2.278 4.524 -4.944 -1.435 N4E HEH 31 HEH C2X 2CEG C 0 1 N N N -6.863 2.473 -1.375 3.256 -5.446 -1.981 C2X HEH 32 HEH C3X 3CEG C 0 1 N N N -7.625 4.682 -2.024 5.161 -4.055 -2.416 C3X HEH 33 HEH C5E C5E C 0 1 N N N -4.298 3.843 -1.157 3.382 -2.982 -0.504 C5E HEH 34 HEH C6F C6F C 0 1 N N R 0.764 6.066 1.058 2.737 2.716 -0.372 C6F HEH 35 HEH O1F O1F O 0 1 N N N 0.199 7.238 0.481 4.048 2.518 -0.897 O1F HEH 36 HEH C2F C2F C 0 1 N N S 0.579 7.520 -0.853 4.532 3.785 -1.338 C2F HEH 37 HEH C1A CFM7 C 0 1 N N N -0.312 8.623 -1.445 3.506 4.422 -2.277 C1A HEH 38 HEH C3F C3F C 0 1 N N S 2.103 7.764 -0.916 4.756 4.701 -0.133 C3F HEH 39 HEH O3F O3F O 0 1 N N N 2.600 8.781 -0.057 5.266 5.961 -0.575 O3F HEH 40 HEH C4F C4F C 0 1 N N S 2.879 6.528 -0.424 3.419 4.914 0.588 C4F HEH 41 HEH N4F N4F N 1 1 N N N 4.291 6.943 -0.234 2.502 5.665 -0.280 N4F HEH 42 HEH C5X 5CFK C 0 1 N N N 5.164 5.891 0.331 1.229 5.877 0.420 C5X HEH 43 HEH C1B 6CKF C 0 1 N N N 4.958 7.582 -1.385 3.099 6.966 -0.614 C1B HEH 44 HEH C1C CFM4 C 0 1 N N N 2.761 5.317 -1.374 3.653 5.693 1.884 C1C HEH 45 HEH C5F C5F C 0 1 N N N 2.301 6.199 0.977 2.814 3.544 0.913 C5F HEH 46 HEH C14 C14 C 0 1 N N R 3.523 -2.918 2.128 -6.191 0.408 -0.857 C14 HEH 47 HEH O14 O14 O 0 1 N N N 4.368 -4.061 1.863 -5.661 1.674 -0.459 O14 HEH 48 HEH C15 C15 C 0 1 N N N 4.349 -1.634 2.131 -7.038 0.358 -2.129 C15 HEH 49 HEH C16 C16 C 0 1 N N S 3.711 -3.985 3.143 -6.744 1.187 0.338 C16 HEH 50 HEH C17 C17 C 0 1 N N R 4.505 -3.687 4.406 -8.107 1.864 0.180 C17 HEH 51 HEH O17 O17 O 0 1 N N N 5.142 -4.913 4.717 -8.130 3.283 0.011 O17 HEH 52 HEH C18 C18 C 0 1 N N S 3.531 -3.255 5.526 -8.565 2.813 1.290 C18 HEH 53 HEH C19 C19 C 0 1 N N N 4.226 -3.166 6.896 -10.062 2.877 1.601 C19 HEH 54 HEH H3 H3 H 0 1 N N N 1.962 -5.007 1.294 -7.022 -2.096 -0.821 H3 HEH 55 HEH HMA1 1HMA H 0 0 N N N -3.302 -3.778 -0.578 -3.554 -5.875 -0.792 HMA1 HEH 56 HEH HMA2 2HMA H 0 0 N N N -1.765 -4.636 -0.939 -2.890 -6.150 0.837 HMA2 HEH 57 HEH HMA3 3HMA H 0 0 N N N -2.534 -3.604 -2.193 -4.528 -5.478 0.644 HMA3 HEH 58 HEH H6 H6 H 0 1 N N N -2.980 -1.143 -1.415 -0.972 -4.755 0.714 H6 HEH 59 HEH H9 H9 H 0 1 N N N -1.454 5.838 -0.440 3.990 0.402 0.181 H9 HEH 60 HEH H11D H11D H 0 0 N N N 2.567 3.426 0.969 -0.213 2.334 -1.271 H11D HEH 61 HEH "HE6'" HE6* H 0 0 N N N -2.730 3.171 -2.423 2.811 -2.731 1.558 "HE6'" HEH 62 HEH "HE2'" HE2* H 0 0 N N N -3.289 4.919 -4.198 4.711 -3.357 2.338 "HE2'" HEH 63 HEH HM11 1HM1 H 0 0 N N N -3.969 7.422 -4.406 6.389 -1.690 3.077 HM11 HEH 64 HEH HM12 2HM1 H 0 0 N N N -2.218 7.036 -4.298 7.175 -3.199 2.554 HM12 HEH 65 HEH HM13 3HM1 H 0 0 N N N -3.093 7.650 -2.854 7.177 -1.776 1.484 HM13 HEH 66 HEH "HE3'" HE3* H 0 0 N N N -5.295 6.190 -2.344 6.140 -3.146 -0.352 "HE3'" HEH 67 HEH H3E H3E H 0 1 N N N -6.740 5.461 -3.928 7.183 -4.472 1.199 H3E HEH 68 HEH "HE4'" HE4* H 0 0 N N N -4.894 3.196 -3.059 3.755 -4.846 0.519 "HE4'" HEH 69 HEH HNE HNE H 0 1 N N N -6.847 3.326 -3.216 5.136 -5.720 -1.237 HNE HEH 70 HEH HG21 1HG2 H 0 0 N N N -7.805 2.615 -0.825 2.635 -4.606 -2.291 HG21 HEH 71 HEH HG22 2HG2 H 0 0 N N N -6.028 2.409 -0.662 3.459 -6.085 -2.841 HG22 HEH 72 HEH HG23 3HG2 H 0 0 N N N -6.917 1.544 -1.961 2.734 -6.021 -1.217 HG23 HEH 73 HEH HG31 1HG3 H 0 0 N N N -8.540 4.488 -2.603 6.102 -3.682 -2.011 HG31 HEH 74 HEH HG32 2HG3 H 0 0 N N N -7.196 5.648 -2.328 5.355 -4.607 -3.335 HG32 HEH 75 HEH HG33 3HG3 H 0 0 N N N -7.869 4.710 -0.952 4.499 -3.215 -2.629 HG33 HEH 76 HEH H5E H5E H 0 1 N N N -4.515 4.604 -0.393 2.395 -3.317 -0.823 H5E HEH 77 HEH "HE5'" HE5* H 0 0 N N N -4.445 2.861 -0.683 3.841 -2.390 -1.296 "HE5'" HEH 78 HEH "HF6'" HF6* H 0 0 N N N 0.522 5.974 2.127 2.128 3.242 -1.107 "HF6'" HEH 79 HEH "HF2'" HF2* H 0 0 N N N 0.403 6.657 -1.512 5.474 3.649 -1.869 "HF2'" HEH 80 HEH HM71 HM71 H 0 0 N N N -1.256 8.182 -1.797 3.519 5.504 -2.150 HM71 HEH 81 HEH HM72 HM72 H 0 0 N N N 0.207 9.100 -2.289 3.756 4.175 -3.309 HM72 HEH 82 HEH HM73 HM73 H 0 0 N N N -0.525 9.377 -0.673 2.513 4.040 -2.043 HM73 HEH 83 HEH "HF3'" HF3* H 0 0 N N N 2.249 8.032 -1.973 5.468 4.238 0.550 "HF3'" HEH 84 HEH H3F H3F H 0 1 N N N 2.711 8.430 0.819 6.105 5.781 -1.021 H3F HEH 85 HEH HNF HNF H 0 1 N N N 4.174 7.666 0.447 2.338 5.143 -1.127 HNF HEH 86 HEH HK51 1HK5 H 0 0 N N N 4.655 5.409 1.179 1.407 6.441 1.336 HK51 HEH 87 HEH HK52 2HK5 H 0 0 N N N 6.105 6.343 0.677 0.548 6.434 -0.223 HK52 HEH 88 HEH HK53 3HK5 H 0 0 N N N 5.381 5.139 -0.442 0.786 4.912 0.668 HK53 HEH 89 HEH HK61 1HK6 H 0 0 N N N 5.767 6.931 -1.747 3.862 6.829 -1.381 HK61 HEH 90 HEH HK62 2HK6 H 0 0 N N N 5.377 8.550 -1.074 2.325 7.636 -0.987 HK62 HEH 91 HEH HK63 3HK6 H 0 0 N N N 4.227 7.741 -2.191 3.554 7.397 0.278 HK63 HEH 92 HEH HM41 1HM4 H 0 0 N N N 1.837 4.764 -1.149 4.338 5.137 2.523 HM41 HEH 93 HEH HM42 2HM4 H 0 0 N N N 3.629 4.655 -1.234 4.084 6.667 1.650 HM42 HEH 94 HEH HM43 3HM4 H 0 0 N N N 2.733 5.669 -2.416 2.704 5.830 2.401 HM43 HEH 95 HEH H5F H5F H 0 1 N N N 2.704 5.211 1.245 1.812 3.676 1.322 H5F HEH 96 HEH "HF5'" HF5* H 0 0 N N N 2.597 7.014 1.654 3.442 3.031 1.641 "HF5'" HEH 97 HEH HMB1 1HMB H 0 0 N N N 3.792 -0.839 1.614 -7.990 -0.127 -1.913 HMB1 HEH 98 HEH HMB2 2HMB H 0 0 N N N 5.303 -1.811 1.612 -7.220 1.372 -2.485 HMB2 HEH 99 HEH HMB3 3HMB H 0 0 N N N 4.548 -1.328 3.169 -6.509 -0.207 -2.896 HMB3 HEH 100 HEH H16 H16 H 0 1 N N N 3.052 -4.652 3.717 -6.514 0.817 1.337 H16 HEH 101 HEH H17 H17 H 0 1 N N N 5.236 -2.873 4.287 -8.869 1.279 -0.335 H17 HEH 102 HEH H18 H18 H 0 1 N N N 2.557 -2.752 5.618 -7.899 2.960 2.139 H18 HEH 103 HEH HMC1 1HMC H 0 0 N N N 3.953 -4.042 7.503 -10.609 3.151 0.700 HMC1 HEH 104 HEH HMC2 2HMC H 0 0 N N N 3.906 -2.248 7.411 -10.403 1.902 1.951 HMC2 HEH 105 HEH HMC3 3HMC H 0 0 N N N 5.317 -3.145 6.754 -10.240 3.623 2.376 HMC3 HEH 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 HEH CCB O1 SING Y N 1 HEH CCB C4A DOUB Y N 2 HEH CCB CCA SING Y N 3 HEH O1 C2 SING Y N 4 HEH C2 C3 DOUB Y N 5 HEH C2 C14 SING N N 6 HEH C3 C4 SING Y N 7 HEH C3 H3 SING N N 8 HEH C4 O4 DOUB N N 9 HEH C4 C4A SING Y N 10 HEH C4A C5 SING Y N 11 HEH C5 C13 SING N N 12 HEH C5 C6 DOUB Y N 13 HEH C13 HMA1 SING N N 14 HEH C13 HMA2 SING N N 15 HEH C13 HMA3 SING N N 16 HEH C6 C6A SING Y N 17 HEH C6 H6 SING N N 18 HEH C6A C7 SING N N 19 HEH C6A CCA DOUB Y N 20 HEH C7 O7C DOUB N N 21 HEH C7 C7A SING N N 22 HEH C7A C8 DOUB Y N 23 HEH C7A CBA SING Y N 24 HEH C8 C9 SING Y N 25 HEH C8 C6E SING N N 26 HEH C9 C10 DOUB Y N 27 HEH C9 H9 SING N N 28 HEH C10 C11 SING Y N 29 HEH C10 C6F SING N N 30 HEH C11 O11 SING N N 31 HEH C11 CBA DOUB Y N 32 HEH O11 H11D SING N N 33 HEH CBA C12 SING N N 34 HEH CCA C12 SING N N 35 HEH C12 OCC DOUB N N 36 HEH C6E O1E SING N N 37 HEH C6E C5E SING N N 38 HEH C6E "HE6'" SING N N 39 HEH O1E C2E SING N N 40 HEH C2E C1X SING N N 41 HEH C2E C3E SING N N 42 HEH C2E "HE2'" SING N N 43 HEH C1X HM11 SING N N 44 HEH C1X HM12 SING N N 45 HEH C1X HM13 SING N N 46 HEH C3E O3E SING N N 47 HEH C3E C4E SING N N 48 HEH C3E "HE3'" SING N N 49 HEH O3E H3E SING N N 50 HEH C4E N4E SING N N 51 HEH C4E C5E SING N N 52 HEH C4E "HE4'" SING N N 53 HEH N4E C2X SING N N 54 HEH N4E C3X SING N N 55 HEH N4E HNE SING N N 56 HEH C2X HG21 SING N N 57 HEH C2X HG22 SING N N 58 HEH C2X HG23 SING N N 59 HEH C3X HG31 SING N N 60 HEH C3X HG32 SING N N 61 HEH C3X HG33 SING N N 62 HEH C5E H5E SING N N 63 HEH C5E "HE5'" SING N N 64 HEH C6F O1F SING N N 65 HEH C6F C5F SING N N 66 HEH C6F "HF6'" SING N N 67 HEH O1F C2F SING N N 68 HEH C2F C1A SING N N 69 HEH C2F C3F SING N N 70 HEH C2F "HF2'" SING N N 71 HEH C1A HM71 SING N N 72 HEH C1A HM72 SING N N 73 HEH C1A HM73 SING N N 74 HEH C3F O3F SING N N 75 HEH C3F C4F SING N N 76 HEH C3F "HF3'" SING N N 77 HEH O3F H3F SING N N 78 HEH C4F N4F SING N N 79 HEH C4F C1C SING N N 80 HEH C4F C5F SING N N 81 HEH N4F C5X SING N N 82 HEH N4F C1B SING N N 83 HEH N4F HNF SING N N 84 HEH C5X HK51 SING N N 85 HEH C5X HK52 SING N N 86 HEH C5X HK53 SING N N 87 HEH C1B HK61 SING N N 88 HEH C1B HK62 SING N N 89 HEH C1B HK63 SING N N 90 HEH C1C HM41 SING N N 91 HEH C1C HM42 SING N N 92 HEH C1C HM43 SING N N 93 HEH C5F H5F SING N N 94 HEH C5F "HF5'" SING N N 95 HEH C14 O14 SING N N 96 HEH C14 C15 SING N N 97 HEH C14 C16 SING N N 98 HEH O14 C16 SING N N 99 HEH C15 HMB1 SING N N 100 HEH C15 HMB2 SING N N 101 HEH C15 HMB3 SING N N 102 HEH C16 C17 SING N N 103 HEH C16 H16 SING N N 104 HEH C17 O17 SING N N 105 HEH C17 C18 SING N N 106 HEH C17 H17 SING N N 107 HEH O17 C18 SING N N 108 HEH C18 C19 SING N N 109 HEH C18 H18 SING N N 110 HEH C19 HMC1 SING N N 111 HEH C19 HMC2 SING N N 112 HEH C19 HMC3 SING N N 113 # 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 HEH SMILES ACDLabs 10.04 "O=C2c1c(cc(c(O)c1C(=O)c4c2cc(c3C(=O)C=C(Oc34)C6(OC6C5OC5C)C)C)C7OC(C)C(O)C(C)(C7)[NH+](C)C)C8OC(C)C(O)C([NH+](C)C)C8" HEH SMILES_CANONICAL CACTVS 3.341 "C[C@H]1O[C@H](C[C@H]([C@@H]1O)[NH+](C)C)c2cc([C@H]3C[C@@](C)([C@H](O)[C@H](C)O3)[NH+](C)C)c(O)c4C(=O)c5c6OC(=CC(=O)c6c(C)cc5C(=O)c24)[C@]7(C)O[C@H]7[C@@H]8O[C@H]8C" HEH SMILES CACTVS 3.341 "C[CH]1O[CH](C[CH]([CH]1O)[NH+](C)C)c2cc([CH]3C[C](C)([CH](O)[CH](C)O3)[NH+](C)C)c(O)c4C(=O)c5c6OC(=CC(=O)c6c(C)cc5C(=O)c24)[C]7(C)O[CH]7[CH]8O[CH]8C" HEH SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "Cc1cc2c(c3c1C(=O)C=C(O3)[C@]4([C@@H](O4)[C@H]5[C@@H](O5)C)C)C(=O)c6c(c(cc(c6O)[C@H]7C[C@]([C@@H]([C@@H](O7)C)O)(C)[NH+](C)C)[C@H]8C[C@H]([C@@H]([C@H](O8)C)O)[NH+](C)C)C2=O" HEH SMILES "OpenEye OEToolkits" 1.5.0 "Cc1cc2c(c3c1C(=O)C=C(O3)C4(C(O4)C5C(O5)C)C)C(=O)c6c(c(cc(c6O)C7CC(C(C(O7)C)O)(C)[NH+](C)C)C8CC(C(C(O8)C)O)[NH+](C)C)C2=O" HEH InChI InChI 1.03 ;InChI=1S/C41H50N2O11/c1-16-11-22-30(37-28(16)24(44)14-27(53-37)41(6)39(54-41)36-18(3)52-36)35(48)31-29(34(22)47)20(25-13-23(42(7)8)32(45)17(2)50-25)12-21(33(31)46)26-15-40(5,43(9)10)38(49)19(4)51-26/h11-12,14,17-19,23,25-26,32,36,38-39,45-46,49H,13,15H2,1-10H3/p+2/t17-,18+,19+,23-,25-,26-,32-,36-,38-,39+,40+,41+/m1/s1 ; HEH InChIKey InChI 1.03 RZOFHOWMWMTHDX-KCOMYAKUSA-P # 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 HEH "SYSTEMATIC NAME" ACDLabs 10.04 ;(2S,3S,4S,6R)-6-{8-[(2R,4R,5S,6R)-4-(dimethylammonio)-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]-2-[(2S,2'R,3R,3'S)-3,3'-dimethyl-2,2'-bioxir-3-yl]-11-hydroxy-5-methyl-4,7,12-trioxo-7,12-dihydro-4H-naphtho[2,3-h]chromen-10-yl}-3-hydroxy-N,N,2,4-tetramethyltetrahydro-2H-pyran-4-aminium (non-preferred name) ; HEH "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 ;[(2R,3S,4R,6R)-6-[10-[(2R,4S,5S,6S)-4-dimethylazaniumyl-5-hydroxy-4,6-dimethyl-oxan-2-yl]-11-hydroxy-5-methyl-2-[(2R,3S)-2-methyl-3-[(2R,3S)-3-methyloxiran-2-yl]oxiran-2-yl]-4,7,12-trioxo-naphtho[7,6-h]chromen-8-yl]-3-hydroxy-2-methyl-oxan-4-yl]-dimethyl-azanium ; # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site HEH "Create component" 2001-07-02 RCSB HEH "Modify descriptor" 2011-06-04 RCSB #