TPCN04765

Name Kadcoccinic acid A
Molecular Formula C30H44O6
Molecular Weight 500.68
CAS Registry Number 1802768-36-0
SMILES C=C1C(C(C)CCC=C(C)C(=O)O)CCC2(C)C1C=C1C2CCC(C(C)(C)C(=O)O)C1(C)CC(=O)O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Schisandraceae Kadsura coccinea Stems 0.000040% 10.1021/acs.jnatprod.5b00392 10.1248/cpb.54.1380
Properties
HBA 6 HBD 3
HeavyAtoms 36 AlogP 6.58
TPSA 111.90 RotatableBonds 9
FractionCSP3 0.70 Rings 3
AromaticRings 0 AliphaticRings 3