Glycoside
GD012487
Name:
Firmacoside AFormula:
C31H58O13Smiles:
CCCCCCCCCCCCCCCCO[C@@H]1OC[C@H](O[C@@H]2OC[C@H](O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1OAglycone:
CCCCCCCCCCCCCCCCOSugarmoiety:
OC1COC(OC2COC(OC3COC(O)C(O)C3O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | 0.85 | Num_rotatable_bonds: | 20 |
| MolWt: | 638.79 | Num_heavy_atoms: | 44 |
| TPSA: | 196.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD01052
Formula: C16H34O
Smiles:
CCCCCCCCCCCCCCCCO| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 5.46 | Num_rotatable_bonds: | 14 |
| MolWt: | 242.45 | Num_heavy_atoms: | 17 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
