TPCN03836

Name Bodinioside A
Molecular Formula C36H58O12
Molecular Weight 682.85
CAS Registry Number 851120-60-0
SMILES CC(=O)C(C)C(O)CC1(C(=O)O)C=C2C(O)CC3C4(C)CC(O)C(OC5OC(CO)C(O)C(O)C5O)C(C)(C)C4CCC3(C)C2(C)CC1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Souliea vaginata Whole plants 0.000510% Chem Pharm Bull (Tokyo) 52, 622-624 (2004). 10.1248/cpb.52.622
Properties
HBA 12 HBD 8
HeavyAtoms 48 AlogP 1.54
TPSA 214.44 RotatableBonds 8
FractionCSP3 0.89 Rings 5
AromaticRings 0 AliphaticRings 5