Glycoside
GD003373
Name:
Aldgamycin NFormula:
C36H60O14Smiles:
CO[C@@H]1[C@H](OC[C@@H]2C=CCCC(=O)[C@@](C)(O)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=CC(=O)O[C@H]2C)O[C@H](C)[C@H](O)[C@H]1OCAglycone:
CC1C=CC(=O)OC(C)C(CO)C=CCCC(=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: | 14 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.83 |
| AlogP: | 1.57 | Num_rotatable_bonds: | 8 |
| MolWt: | 716.86 | Num_heavy_atoms: | 50 |
| TPSA: | 199.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD03067
Formula: C20H32O6
Smiles:
CC1C=CC(=O)OC(C)C(CO)C=CCCC(=O)C(C)(O)CC(C)C1O| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.7 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 1 |
| MolWt: | 368.47 | Num_heavy_atoms: | 26 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
