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