TPCN03695

Name Echinocystic acid
Molecular Formula C30H48O4
Molecular Weight 472.71
CAS Registry Number 510-30-5
SMILES CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Caprifoliaceae Patrinia scabiosaefoli Roots 0.001117% Arch Pharm Res, 2001, 24, 416-417. 10.1007/bf02975186
Properties
HBA 4 HBD 3
HeavyAtoms 34 AlogP 6.20
TPSA 77.76 RotatableBonds 1
FractionCSP3 0.90 Rings 5
AromaticRings 0 AliphaticRings 5