TPCN04799

Name Kadcoccinic acid D
Molecular Formula C30H44O3
Molecular Weight 452.68
CAS Registry Number 1802768-39-3
SMILES CC(=CCCC(C)C1=C(C)C2C=C3C(CCC4C(C)(C)C(=O)CCC34C)C2(C)CC1)C(=O)O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Schisandraceae Kadsura coccinea Stems 0.000012% 10.1021/acs.jnatprod.5b00392 10.1248/cpb.54.1380
Properties
HBA 3 HBD 1
HeavyAtoms 33 AlogP 7.53
TPSA 54.37 RotatableBonds 5
FractionCSP3 0.73 Rings 4
AromaticRings 0 AliphaticRings 4