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                    2008-10-14 
_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 InChI            InChI                1.02b 
;InChI=1/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                1.02b OQDCVONZQOVIMP-UNQJTBPABR 
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 
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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                             
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