TPCN04393

Name Kotalagenin 16-acetate
Molecular Formula C32H50O5
Molecular Weight 514.75
CAS Registry Number 231282-92-1
SMILES CC(=O)OC1CC2(CO)C3CCC4(C)C(C)C(=O)CC(=O)C4C3(C)CCC2(C)C2CC(C)(C)CCC12C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Celastraceae Salacia oblonga Roots 0.000900% Chem Pharm Bull (Tokyo) 47(12): 1725-1729. 10.1248/cpb.47.1725
Properties
HBA 5 HBD 1
HeavyAtoms 37 AlogP 6.15
TPSA 80.67 RotatableBonds 2
FractionCSP3 0.91 Rings 5
AromaticRings 0 AliphaticRings 5