Glycoside
GD011422
Name:
Aldgamycin JFormula:
C36H60O15Smiles:
CO[C@@H]1[C@H](OC[C@H]2[C@H](C)OC(=O)C=C[C@@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@](O)([C@H](C)O)[C@H]3O)[C@@H](C)C[C@](C)(O)C(=O)CC[C@@H]3O[C@H]32)O[C@H](C)[C@H](O)[C@H]1OCAglycone:
CC1C=CC(=O)OC(C)C(CO)C2OC2CCC(=O)C(C)(O)CC(C)C1OSugarmoiety:
CC1CC(O)(C(C)O)C(O)C(O)O1.COC1C(O)OC(C)C(O)C1OCOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.89 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 8 |
| MolWt: | 732.86 | Num_heavy_atoms: | 51 |
| TPSA: | 212.43 | NumAromaticRings: | 0 |
Unique Aglycone
AD08735
Formula: C20H32O7
Smiles:
CC1C=CC(=O)OC(C)C(CO)C2OC2CCC(=O)C(C)(O)CC(C)C1O| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 0.99 | Num_rotatable_bonds: | 1 |
| MolWt: | 384.47 | Num_heavy_atoms: | 27 |
| TPSA: | 116.59 | NumAromaticRings: | 0 |
