Glycoside
GD021510
Name:
SEMDURAMICIN SODIUMFormula:
C45H75O16Smiles:
CO[C@@H]1CC[C@H](O[C@@H]2C[C@H]([C@@H]3O[C@@](C)(O)[C@H](C)C[C@H]3C)O[C@H]2[C@]2(C)CC[C@H]([C@]3(C)CC[C@]4(C[C@H](O)[C@H](C)[C@H]([C@H](C)[C@@H]5O[C@](O)(CC(=O)[O-])[C@H](C)[C@H](O)[C@H]5OC)O4)O3)O2)O[C@H]1CAglycone:
CCC1OC2(CCC(C)(C3CCC(C)(C4OC(C5OC(C)(O)C(C)CC5C)CC4OC4CCC(OC)C(C)O4)O3)O2)CC(O)C1CSugarmoiety:
COC1C(O)OC(O)(CC(=O)O)C(C)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.98 |
| AlogP: | 2.7 | Num_rotatable_bonds: | 11 |
| MolWt: | 872.08 | Num_heavy_atoms: | 61 |
| TPSA: | 213.35 | NumAromaticRings: | 0 |
Unique Aglycone
AD02920
Formula: C36H62O10
Smiles:
CCC1OC2(CCC(C)(C3CCC(C)(C4OC(C5OC(C)(O)C(C)CC5C)CC4OC4CCC(OC)C(C)O4)O3)O2)CC(O)C1C| HBA: | 10 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 5.24 | Num_rotatable_bonds: | 7 |
| MolWt: | 654.88 | Num_heavy_atoms: | 46 |
| TPSA: | 114.3 | NumAromaticRings: | 0 |
