Glycoside
GD012168
Name:
ALBOPILOSIN JFormula:
C26H42O10Smiles:
C[C@@H]1C(=O)[C@@]23[C@H](O)C[C@@H]4[C@@](C)(CO[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)CCC[C@@]4(C)[C@H]2C[C@H](O)[C@H]1[C@H]3OAglycone:
CC1C(=O)C23C(O)CC4C(C)(CO)CCCC4(C)C2CC(O)C1C3OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.96 |
| AlogP: | -1.06 | Num_rotatable_bonds: | 4 |
| MolWt: | 514.61 | Num_heavy_atoms: | 36 |
| TPSA: | 177.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD09193
Formula: C20H32O5
Smiles:
CC1C(=O)C23C(O)CC4C(C)(CO)CCCC4(C)C2CC(O)C1C3O| HBA: | 5 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.95 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 1 |
| MolWt: | 352.47 | Num_heavy_atoms: | 25 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
