TPCN04078

Name Cincholic acid
Molecular Formula C30H46O5
Molecular Weight 486.69
CAS Registry Number 5948-32-3
SMILES CC1(C)CCC2(C(=O)O)CCC3(C(=O)O)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Fabaceae Derris eriocarpa Stems 0.000088% J Agric Food Chem 65, 2357-2363 (2017). 10.1021/acs.jafc.7b00137
Properties
HBA 5 HBD 3
HeavyAtoms 35 AlogP 6.30
TPSA 94.83 RotatableBonds 2
FractionCSP3 0.87 Rings 5
AromaticRings 0 AliphaticRings 5