TPCN04753

Name Kadcoccinic acid F
Molecular Formula C30H42O5
Molecular Weight 482.66
CAS Registry Number 1802768-41-7
SMILES CC(=CCCC(C)C1CCC2(C)C(=C1C=O)C=C1C3(C)CCC(=O)C(C)(C)C3CCC12O)C(=O)O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Schisandraceae Kadsura coccinea Stems 0.000052% 10.1021/acs.jnatprod.5b00392 10.1248/cpb.54.1380
Properties
HBA 5 HBD 2
HeavyAtoms 35 AlogP 5.82
TPSA 91.67 RotatableBonds 6
FractionCSP3 0.70 Rings 4
AromaticRings 0 AliphaticRings 4