data_ZIO
# 
_chem_comp.id                                    ZIO 
_chem_comp.name                                  
"(3S,5R,6S,7R,8R,11R,12S,13R,14S,15S)-6-HYDROXY-5,7,8,11,13,15-HEXAMETHYL-4,10-DIOXO-14-{[3,4,6-TRIDEOXY-3-(DIMETHYLAMINO)-BETA-D-XYLO-HEXOPYRANOSYL]OXY}-1,9-DIOXASPIRO[2.13]HEXADEC-12-YL 2,6-DIDEOXY-3-O-METHYL-ALPHA-L-ARABINO-HEXOPYRANOSIDE" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C35 H61 N O12" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         OLEANDOMYCIN 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2006-07-13 
_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                        687.858 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     ZIO 
_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                  EBI 
# 
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 
ZIO C10  C10  C 0 1 N N R 42.687 53.666 28.638 4.776  -0.815 -0.080 C10  ZIO 1   
ZIO C11  C11  C 0 1 N N S 43.682 53.427 29.796 5.481  0.223  0.787  C11  ZIO 2   
ZIO C12  C12  C 0 1 N N R 43.238 53.575 31.294 5.612  1.588  0.135  C12  ZIO 3   
ZIO C13  C13  C 0 1 N N R 44.432 53.227 32.224 4.432  2.485  0.515  C13  ZIO 4   
ZIO O2   O2   O 0 1 N N N 44.733 51.846 32.023 3.328  2.289  -0.404 O2   ZIO 5   
ZIO C2   C2   C 0 1 N N R 45.960 49.973 30.884 0.961  2.611  -1.056 C2   ZIO 6   
ZIO C3   C3   C 0 1 N N S 46.090 49.906 29.327 -0.232 1.903  -0.418 C3   ZIO 7   
ZIO C4   C4   C 0 1 N N R 45.304 48.732 28.664 -0.404 0.509  -1.040 C4   ZIO 8   
ZIO C5   C5   C 0 1 N N S 45.246 48.824 27.097 0.081  -0.537 -0.042 C5   ZIO 9   
ZIO C6   C6   C 0 1 N N S 44.666 50.155 26.524 0.806  -1.708 -0.700 C6   ZIO 10  
ZIO C7   C7   C 0 1 N N N 43.149 50.149 26.815 1.460  -2.547 0.396  C7   ZIO 11  
ZIO C8   C8   C 0 1 N N S 42.382 51.429 27.182 2.965  -2.709 0.184  C8   ZIO 12  
ZIO C9   C9   C 0 1 N N N 43.095 52.753 27.473 3.835  -1.629 0.777  C9   ZIO 13  
ZIO O11  O11  O 0 1 N N N 44.168 53.168 26.667 3.770  -1.408 1.964  O11  ZIO 14  
ZIO C1   C1   C 0 1 N N N 45.858 51.451 31.292 2.092  2.694  -0.066 C1   ZIO 15  
ZIO O1   O1   O 0 1 N N N 46.806 52.386 30.854 1.884  3.130  1.044  O1   ZIO 16  
ZIO O3   O3   O 0 1 N N N 47.452 49.868 28.935 -1.421 2.663  -0.632 O3   ZIO 17  
ZIO O7   O7   O 0 1 N N N 44.393 47.785 26.628 -1.051 -1.045 0.682  O7   ZIO 18  
ZIO C34  C34  C 0 1 N N N 42.487 55.120 28.176 5.825  -1.756 -0.687 C34  ZIO 19  
ZIO C33  C33  C 0 1 N N N 41.130 51.627 26.313 3.505  -4.146 0.339  C33  ZIO 20  
ZIO C35  C35  C 0 1 N N N 42.026 52.698 31.664 5.756  1.522  -1.379 C35  ZIO 21  
ZIO O12  O12  O 0 1 N N N 44.897 54.109 29.532 6.788  -0.271 1.121  O12  ZIO 22  
ZIO C36  C36  C 0 1 N N N 44.174 53.452 33.723 4.888  3.948  0.455  C36  ZIO 23  
ZIO C30  C30  C 0 1 N N N 47.090 49.317 31.698 0.556  4.029  -1.473 C30  ZIO 24  
ZIO C32  C32  C 0 1 N N N 44.914 50.359 25.014 1.843  -1.237 -1.708 C32  ZIO 25  
ZIO C22  C22  C 0 1 N N S 45.089 46.778 25.899 -1.387 -2.303 0.093  C22  ZIO 26  
ZIO C23  C23  C 0 1 N N R 44.151 45.574 25.804 -2.501 -2.964 0.907  C23  ZIO 27  
ZIO C24  C24  C 0 1 N N S 44.733 44.504 24.853 -2.829 -4.328 0.289  C24  ZIO 28  
ZIO C25  C25  C 0 1 N N N 45.176 45.113 23.510 -3.140 -4.129 -1.199 C25  ZIO 29  
ZIO C26  C26  C 0 1 N N R 46.133 46.280 23.790 -1.978 -3.379 -1.854 C26  ZIO 30  
ZIO O9   O9   O 0 1 N N N 45.470 47.239 24.613 -1.827 -2.097 -1.248 O9   ZIO 31  
ZIO N1   N1   N 0 1 N N N 43.841 43.343 24.720 -3.998 -4.910 0.963  N1   ZIO 32  
ZIO C27  C27  C 0 1 N N N 46.543 47.030 22.516 -2.265 -3.204 -3.347 C27  ZIO 33  
ZIO O8   O8   O 0 1 N N N 43.933 44.996 27.081 -2.066 -3.144 2.257  O8   ZIO 34  
ZIO C28  C28  C 0 1 N N N 44.473 42.210 24.011 -5.157 -4.095 0.576  C28  ZIO 35  
ZIO C14  C14  C 0 1 N N R 47.970 50.898 28.110 -1.551 3.550  0.481  C14  ZIO 36  
ZIO C15  C15  C 0 1 N N N 49.342 51.317 28.693 -2.587 4.627  0.155  C15  ZIO 37  
ZIO C16  C16  C 0 1 N N S 50.417 50.211 28.495 -3.927 3.952  -0.160 C16  ZIO 38  
ZIO C17  C17  C 0 1 N N S 50.426 49.742 27.025 -4.296 3.021  1.000  C17  ZIO 39  
ZIO C18  C18  C 0 1 N N S 48.990 49.407 26.551 -3.128 2.068  1.265  C18  ZIO 40  
ZIO O4   O4   O 0 1 N N N 48.075 50.488 26.749 -1.966 2.811  1.628  O4   ZIO 41  
ZIO O5   O5   O 0 1 N N N 51.730 50.666 28.868 -4.940 4.947  -0.318 O5   ZIO 42  
ZIO O6   O6   O 0 1 N N N 51.202 48.552 26.896 -5.463 2.267  0.665  O6   ZIO 43  
ZIO O10  O10  O 0 1 N N N 41.056 51.295 27.676 3.438  -3.476 -0.914 O10  ZIO 44  
ZIO C20  C20  C 0 1 N N N 51.872 50.787 30.286 -4.960 5.301  -1.702 C20  ZIO 45  
ZIO C29  C29  C 0 1 N N N 42.440 43.583 24.334 -4.203 -6.242 0.377  C29  ZIO 46  
ZIO C21  C21  C 0 1 N N N 48.915 49.036 25.057 -3.499 1.115  2.403  C21  ZIO 47  
ZIO C31  C31  C 0 1 N N N 45.791 47.363 29.191 -1.895 0.287  -1.329 C31  ZIO 48  
ZIO H10  H10  H 0 1 N N N 41.691 53.416 29.033 4.207  -0.349 -0.874 H10  ZIO 49  
ZIO H11  H11  H 0 1 N N N 43.787 52.332 29.768 4.920  0.339  1.726  H11  ZIO 50  
ZIO H12  H12  H 0 1 N N N 42.925 54.621 31.430 6.526  2.073  0.533  H12  ZIO 51  
ZIO H13  H13  H 0 1 N N N 45.256 53.905 31.957 4.112  2.249  1.530  H13  ZIO 52  
ZIO HB   HB   H 0 1 N N N 45.063 49.384 31.125 1.287  2.063  -1.940 HB   ZIO 53  
ZIO H3   H3   H 0 1 N N N 45.621 50.830 28.958 -0.058 1.791  0.652  H3   ZIO 54  
ZIO H4   H4   H 0 1 N N N 44.254 48.833 28.975 0.136  0.479  -1.976 H4   ZIO 55  
ZIO H5   H5   H 0 1 N N N 46.291 48.752 26.760 0.758  -0.063 0.677  H5   ZIO 56  
ZIO H6   H6   H 0 1 N N N 45.186 50.992 27.012 0.062  -2.327 -1.220 H6   ZIO 57  
ZIO H7C1 1H7C H 0 0 N N N 43.087 49.561 27.742 1.285  -2.069 1.365  H7C1 ZIO 58  
ZIO H7C2 2H7C H 0 0 N N N 42.675 49.777 25.894 0.992  -3.535 0.423  H7C2 ZIO 59  
ZIO H341 1H34 H 0 0 N N N 41.549 55.198 27.607 5.328  -2.510 -1.297 H341 ZIO 60  
ZIO H342 2H34 H 0 0 N N N 43.330 55.421 27.536 6.512  -1.182 -1.309 H342 ZIO 61  
ZIO H343 3H34 H 0 0 N N N 42.439 55.781 29.054 6.382  -2.245 0.112  H343 ZIO 62  
ZIO H331 1H33 H 0 0 N N N 40.735 51.236 25.363 4.475  -4.255 0.822  H331 ZIO 63  
ZIO H332 2H33 H 0 0 N N N 40.756 52.488 25.739 2.774  -4.923 0.555  H332 ZIO 64  
ZIO H351 1H35 H 0 0 N N N 42.075 51.751 31.107 4.877  1.038  -1.806 H351 ZIO 65  
ZIO H352 2H35 H 0 0 N N N 41.097 53.228 31.405 5.845  2.532  -1.780 H352 ZIO 66  
ZIO H353 3H35 H 0 0 N N N 42.040 52.489 32.744 6.647  0.949  -1.635 H353 ZIO 67  
ZIO HA   HA   H 0 1 N N N 44.979 54.262 28.598 6.659  -1.100 1.602  HA   ZIO 68  
ZIO H361 1H36 H 0 0 N N N 43.579 52.617 34.122 5.222  4.184  -0.556 H361 ZIO 69  
ZIO H362 2H36 H 0 0 N N N 43.624 54.394 33.863 4.056  4.600  0.724  H362 ZIO 70  
ZIO H363 3H36 H 0 0 N N N 45.134 53.506 34.257 5.710  4.102  1.154  H363 ZIO 71  
ZIO H301 1H30 H 0 0 N N N 46.745 48.348 32.089 1.410  4.532  -1.927 H301 ZIO 72  
ZIO H302 2H30 H 0 0 N N N 47.366 49.973 32.536 -0.261 3.977  -2.193 H302 ZIO 73  
ZIO H303 3H30 H 0 0 N N N 47.966 49.161 31.051 0.231  4.587  -0.595 H303 ZIO 74  
ZIO H321 1H32 H 0 0 N N N 45.504 49.517 24.623 2.586  -0.619 -1.203 H321 ZIO 75  
ZIO H322 2H32 H 0 0 N N N 45.465 51.298 24.857 2.333  -2.101 -2.156 H322 ZIO 76  
ZIO H323 3H32 H 0 0 N N N 43.950 50.408 24.487 1.354  -0.652 -2.487 H323 ZIO 77  
ZIO H22  H22  H 0 1 N N N 46.023 46.504 26.411 -0.508 -2.948 0.091  H22  ZIO 78  
ZIO H23  H23  H 0 1 N N N 43.191 45.933 25.406 -3.390 -2.334 0.892  H23  ZIO 79  
ZIO H24  H24  H 0 1 N N N 45.652 44.110 25.312 -1.974 -4.996 0.398  H24  ZIO 80  
ZIO H251 1H25 H 0 0 N N N 44.298 45.474 22.955 -4.056 -3.548 -1.306 H251 ZIO 81  
ZIO H252 2H25 H 0 0 N N N 45.689 44.349 22.907 -3.264 -5.099 -1.679 H252 ZIO 82  
ZIO H26  H26  H 0 1 N N N 47.025 45.845 24.264 -1.059 -3.951 -1.727 H26  ZIO 83  
ZIO H271 1H27 H 0 0 N N N 45.775 46.884 21.742 -1.436 -2.674 -3.817 H271 ZIO 84  
ZIO H272 2H27 H 0 0 N N N 47.506 46.640 22.155 -2.380 -4.183 -3.812 H272 ZIO 85  
ZIO H273 3H27 H 0 0 N N N 46.641 48.103 22.737 -3.182 -2.630 -3.476 H273 ZIO 86  
ZIO H8   H8   H 0 1 N N N 43.884 44.051 26.997 -1.954 -2.260 2.634  H8   ZIO 87  
ZIO H281 1H28 H 0 0 N N N 43.817 41.329 24.071 -5.366 -4.240 -0.484 H281 ZIO 88  
ZIO H282 2H28 H 0 0 N N N 45.442 41.980 24.479 -6.025 -4.398 1.162  H282 ZIO 89  
ZIO H283 3H28 H 0 0 N N N 44.630 42.479 22.956 -4.941 -3.044 0.763  H283 ZIO 90  
ZIO H14  H14  H 0 1 N N N 47.283 51.757 28.106 -0.589 4.021  0.683  H14  ZIO 91  
ZIO H151 1H15 H 0 0 N N N 49.218 51.485 29.773 -2.256 5.202  -0.710 H151 ZIO 92  
ZIO H152 2H15 H 0 0 N N N 49.678 52.231 28.181 -2.706 5.290  1.012  H152 ZIO 93  
ZIO H16  H16  H 0 1 N N N 50.153 49.370 29.153 -3.837 3.373  -1.080 H16  ZIO 94  
ZIO H17  H17  H 0 1 N N N 50.850 50.556 26.419 -4.491 3.616  1.893  H17  ZIO 95  
ZIO H18  H18  H 0 1 N N N 48.708 48.543 27.171 -2.923 1.491  0.363  H18  ZIO 96  
ZIO HC   HC   H 0 1 N N N 51.375 48.384 25.977 -5.652 1.694  1.420  HC   ZIO 97  
ZIO H201 1H20 H 0 0 N N N 51.400 49.923 30.777 -3.985 5.693  -1.991 H201 ZIO 98  
ZIO H202 2H20 H 0 0 N N N 51.385 51.713 30.625 -5.189 4.419  -2.300 H202 ZIO 99  
ZIO H203 3H20 H 0 0 N N N 52.940 50.818 30.547 -5.722 6.062  -1.872 H203 ZIO 100 
ZIO H291 1H29 H 0 0 N N N 42.088 42.756 23.699 -5.099 -6.692 0.804  H291 ZIO 101 
ZIO H292 2H29 H 0 0 N N N 42.370 44.529 23.777 -4.322 -6.149 -0.703 H292 ZIO 102 
ZIO H293 3H29 H 0 0 N N N 41.815 43.643 25.237 -3.340 -6.871 0.594  H293 ZIO 103 
ZIO H211 1H21 H 0 0 N N N 48.000 48.455 24.869 -3.800 1.693  3.277  H211 ZIO 104 
ZIO H212 2H21 H 0 0 N N N 49.794 48.434 24.784 -4.324 0.476  2.088  H212 ZIO 105 
ZIO H213 3H21 H 0 0 N N N 48.897 49.954 24.451 -2.637 0.497  2.656  H213 ZIO 106 
ZIO H311 1H31 H 0 0 N N N 45.054 46.961 29.901 -2.332 1.209  -1.713 H311 ZIO 107 
ZIO H312 2H31 H 0 0 N N N 46.759 47.489 29.698 -2.007 -0.505 -2.070 H312 ZIO 108 
ZIO H313 3H31 H 0 0 N N N 45.907 46.665 28.349 -2.404 -0.002 -0.409 H313 ZIO 109 
# 
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 
ZIO C10 C11  SING N N 1   
ZIO C10 C9   SING N N 2   
ZIO C10 C34  SING N N 3   
ZIO C10 H10  SING N N 4   
ZIO C11 C12  SING N N 5   
ZIO C11 O12  SING N N 6   
ZIO C11 H11  SING N N 7   
ZIO C12 C13  SING N N 8   
ZIO C12 C35  SING N N 9   
ZIO C12 H12  SING N N 10  
ZIO C13 O2   SING N N 11  
ZIO C13 C36  SING N N 12  
ZIO C13 H13  SING N N 13  
ZIO O2  C1   SING N N 14  
ZIO C2  C3   SING N N 15  
ZIO C2  C1   SING N N 16  
ZIO C2  C30  SING N N 17  
ZIO C2  HB   SING N N 18  
ZIO C3  C4   SING N N 19  
ZIO C3  O3   SING N N 20  
ZIO C3  H3   SING N N 21  
ZIO C4  C5   SING N N 22  
ZIO C4  C31  SING N N 23  
ZIO C4  H4   SING N N 24  
ZIO C5  C6   SING N N 25  
ZIO C5  O7   SING N N 26  
ZIO C5  H5   SING N N 27  
ZIO C6  C7   SING N N 28  
ZIO C6  C32  SING N N 29  
ZIO C6  H6   SING N N 30  
ZIO C7  C8   SING N N 31  
ZIO C7  H7C1 SING N N 32  
ZIO C7  H7C2 SING N N 33  
ZIO C8  C9   SING N N 34  
ZIO C8  C33  SING N N 35  
ZIO C8  O10  SING N N 36  
ZIO C9  O11  DOUB N N 37  
ZIO C1  O1   DOUB N N 38  
ZIO O3  C14  SING N N 39  
ZIO O7  C22  SING N N 40  
ZIO C34 H341 SING N N 41  
ZIO C34 H342 SING N N 42  
ZIO C34 H343 SING N N 43  
ZIO C33 O10  SING N N 44  
ZIO C33 H331 SING N N 45  
ZIO C33 H332 SING N N 46  
ZIO C35 H351 SING N N 47  
ZIO C35 H352 SING N N 48  
ZIO C35 H353 SING N N 49  
ZIO O12 HA   SING N N 50  
ZIO C36 H361 SING N N 51  
ZIO C36 H362 SING N N 52  
ZIO C36 H363 SING N N 53  
ZIO C30 H301 SING N N 54  
ZIO C30 H302 SING N N 55  
ZIO C30 H303 SING N N 56  
ZIO C32 H321 SING N N 57  
ZIO C32 H322 SING N N 58  
ZIO C32 H323 SING N N 59  
ZIO C22 C23  SING N N 60  
ZIO C22 O9   SING N N 61  
ZIO C22 H22  SING N N 62  
ZIO C23 C24  SING N N 63  
ZIO C23 O8   SING N N 64  
ZIO C23 H23  SING N N 65  
ZIO C24 C25  SING N N 66  
ZIO C24 N1   SING N N 67  
ZIO C24 H24  SING N N 68  
ZIO C25 C26  SING N N 69  
ZIO C25 H251 SING N N 70  
ZIO C25 H252 SING N N 71  
ZIO C26 O9   SING N N 72  
ZIO C26 C27  SING N N 73  
ZIO C26 H26  SING N N 74  
ZIO N1  C28  SING N N 75  
ZIO N1  C29  SING N N 76  
ZIO C27 H271 SING N N 77  
ZIO C27 H272 SING N N 78  
ZIO C27 H273 SING N N 79  
ZIO O8  H8   SING N N 80  
ZIO C28 H281 SING N N 81  
ZIO C28 H282 SING N N 82  
ZIO C28 H283 SING N N 83  
ZIO C14 C15  SING N N 84  
ZIO C14 O4   SING N N 85  
ZIO C14 H14  SING N N 86  
ZIO C15 C16  SING N N 87  
ZIO C15 H151 SING N N 88  
ZIO C15 H152 SING N N 89  
ZIO C16 C17  SING N N 90  
ZIO C16 O5   SING N N 91  
ZIO C16 H16  SING N N 92  
ZIO C17 C18  SING N N 93  
ZIO C17 O6   SING N N 94  
ZIO C17 H17  SING N N 95  
ZIO C18 O4   SING N N 96  
ZIO C18 C21  SING N N 97  
ZIO C18 H18  SING N N 98  
ZIO O5  C20  SING N N 99  
ZIO O6  HC   SING N N 100 
ZIO C20 H201 SING N N 101 
ZIO C20 H202 SING N N 102 
ZIO C20 H203 SING N N 103 
ZIO C29 H291 SING N N 104 
ZIO C29 H292 SING N N 105 
ZIO C29 H293 SING N N 106 
ZIO C21 H211 SING N N 107 
ZIO C21 H212 SING N N 108 
ZIO C21 H213 SING N N 109 
ZIO C31 H311 SING N N 110 
ZIO C31 H312 SING N N 111 
ZIO C31 H313 SING 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 
ZIO SMILES           ACDLabs              10.04 O=C4C(C)C(O)C(C)C(OC(=O)C(C(OC1OC(C(O)C(OC)C1)C)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)CC43OC3)C)C 
ZIO InChI            InChI                1.02b 
;InChI=1/C35H61NO12/c1-16-14-35(15-43-35)32(40)19(4)27(37)18(3)22(7)46-33(41)21(6)31(47-26-13-25(42-11)28(38)23(8)45-26)20(5)30(16)48-34-29(39)24(36(9)10)12-17(2)44-34/h16-31,34,37-39H,12-15H2,1-11H3/t16-,17+,18-,19+,20+,21+,22+,23-,24-,25-,26-,27-,28-,29+,30-,31-,34-,35-/m0/s1
;
ZIO InChIKey         InChI                1.02b RZPAKFUAFGMUPI-KGIGTXTPBQ 
ZIO SMILES_CANONICAL CACTVS               3.341 CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@@H](C)C[C@]4(CO4)C(=O)[C@H](C)[C@@H](O)[C@@H](C)[C@@H](C)OC(=O)[C@@H]2C 
ZIO SMILES           CACTVS               3.341 CO[CH]1C[CH](O[CH](C)[CH]1O)O[CH]2[CH](C)[CH](O[CH]3O[CH](C)C[CH]([CH]3O)N(C)C)[CH](C)C[C]4(CO4)C(=O)[CH](C)[CH](O)[CH](C)[CH](C)OC(=O)[CH]2C 
ZIO SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](C[C@]3(CO3)C(=O)[C@@H]([C@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]2C)O[C@H]4C[C@@H]([C@H]([C@@H](O4)C)O)OC)C)C)C)O)C)C)O)N(C)C 
ZIO SMILES           "OpenEye OEToolkits" 1.5.0 CC1CC(C(C(O1)OC2C(CC3(CO3)C(=O)C(C(C(C(OC(=O)C(C(C2C)OC4CC(C(C(O4)C)O)OC)C)C)C)O)C)C)O)N(C)C 
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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 
ZIO "SYSTEMATIC NAME" ACDLabs              10.04 
"(3S,5R,6S,7R,8R,11R,12S,13R,14S,15S)-6-hydroxy-5,7,8,11,13,15-hexamethyl-4,10-dioxo-14-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}-1,9-dioxaspiro[2.13]hexadec-12-yl 2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranoside" 
ZIO "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 
(3S,5S,6S,7R,8S,9R,12R,13R,14S,15R)-6-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl]oxy-14-hydroxy-8-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyl-oxan-2-yl]oxy-5,7,9,12,13,15-hexamethyl-2,11-dioxaspiro[2.13]hexadecane-10,16-dione 
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