TPCN03770
Name | Onjisaponin F |
Molecular Formula | C75H112O36 |
Molecular Weight | 1589.69 |
CAS Registry Number | 79103-90-5 |
SMILES | COc1cc(C=CC(=O)OC2C(C)OC(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CC(O)C(OC7OC(CO)C(O)C(O)C7O)C(C)(C(=O)O)C6CCC5(C)C3(CO)CC4)C(OC3OC(C)C(OC4OCC(O)C(OC5OCC(O)C(O)C5O)C4O)C(OC4OCC(O)(CO)C4O)C3O)C2O)cc(OC)c1OC |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Ranunculaceae | Souliea vaginata | Whole plants | 0.000760% | Chem Pharm Bull (Tokyo) 52, 622-624 (2004). | 10.1248/cpb.52.622 |
Properties
HBA | 36 | HBD | 17 |
HeavyAtoms | 111 | AlogP | -3.11 |
TPSA | 542.80 | RotatableBonds | 22 |
FractionCSP3 | 0.83 | Rings | 12 |
AromaticRings | 1 | AliphaticRings | 11 |