TPCN05486

Name Gummosogenin
Molecular Formula C30H48O3
Molecular Weight 456.71
CAS Registry Number 465-96-3
SMILES CC1(C)CCC2(C=O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Ligularia odontomanes Whole plants 0.000500% Chem Pharm Bull (Tokyo). 2007. 55, 577-579. 10.1248/cpb.55.577
Properties
HBA 3 HBD 2
HeavyAtoms 33 AlogP 6.32
TPSA 57.53 RotatableBonds 1
FractionCSP3 0.90 Rings 5
AromaticRings 0 AliphaticRings 5