TPCN05763

Name Coussaric acid
Molecular Formula C30H46O5
Molecular Weight 486.69
CAS Registry Number 627469-55-0
SMILES C=C1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1(C)O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Rubiaceae Coussarea brevicaulis Stems 0.000700% Phytochemistry. 2003 Sep;64(1):293-302. 10.1016/s0031-9422(03)00268-1
Properties
HBA 5 HBD 4
HeavyAtoms 35 AlogP 5.10
TPSA 97.99 RotatableBonds 2
FractionCSP3 0.83 Rings 5
AromaticRings 0 AliphaticRings 5