TPCN05308

Name Bacopasaponin A
Molecular Formula C40H64O12
Molecular Weight 736.94
CAS Registry Number 178064-11-4
SMILES CC(C)=CC1CC(C)(OC2OCC(O)C(O)C2O)C2C3CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(C)C5CCC4(C)C34COC2(C4)O1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Scrophulariaceae Bacopa monniera Leaves 0.006071% Phytochemistry. 1996. 42, 815-820. 10.1016/0031-9422(95)00936-1.
Properties
HBA 12 HBD 6
HeavyAtoms 52 AlogP 2.78
TPSA 176.76 RotatableBonds 5
FractionCSP3 0.95 Rings 8
AromaticRings 0 AliphaticRings 8