TPCN03603

Name Hederagonic acid
Molecular Formula C30H46O4
Molecular Weight 470.69
CAS Registry Number 466-01-3
SMILES CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(=O)C(C)(CO)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Caprifoliaceae Patrinia scabiosaefoli Roots 0.001917% Arch Pharm Res, 2001, 24, 416-417. 10.1007/bf02975186
Properties
HBA 4 HBD 2
HeavyAtoms 34 AlogP 6.41
TPSA 74.60 RotatableBonds 2
FractionCSP3 0.87 Rings 5
AromaticRings 0 AliphaticRings 5