TPCN03608

Name Astilbotriterpenic Acid
Molecular Formula C30H48O4
Molecular Weight 472.71
CAS Registry Number 1021422-55-8
SMILES CC1CCC2(C)CCC3(C(=O)O)C(=CCC4C5(C)CCC(O)C(C)(C)C5C(O)CC43C)C2C1C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Saxifragaceae Astilbe chinensis Subterraneous stems 0.001840% Chem Biodivers 5, 189-196 (2008). 10.1002/cbdv.200890010
Properties
HBA 4 HBD 3
HeavyAtoms 34 AlogP 6.06
TPSA 77.76 RotatableBonds 1
FractionCSP3 0.90 Rings 5
AromaticRings 0 AliphaticRings 5