TPCN04743

Name Kadcoccinic acid B
Molecular Formula C30H44O6
Molecular Weight 500.68
CAS Registry Number 1802768-37-1
SMILES C=C1C(C(C)CCC=C(C)C(=O)O)CCC2(C)C3=C(CC12)C(C)(CC(=O)O)C(C(C)(C)C(=O)O)CC3
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Schisandraceae Kadsura coccinea Stems 0.000065% 10.1021/acs.jnatprod.5b00392 10.1248/cpb.54.1380
Properties
HBA 6 HBD 3
HeavyAtoms 36 AlogP 6.72
TPSA 111.90 RotatableBonds 9
FractionCSP3 0.70 Rings 3
AromaticRings 0 AliphaticRings 3