TPCN06294

Name Kadcoccine acid K
Molecular Formula C30H44O4
Molecular Weight 468.68
CAS Registry Number 2022944-11-0
SMILES CC(=CCCC(C)C1=C(CO)C2CC3C(=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 0.000059% J Nat Prod . 2016 Oct 28;79(10):2590-2598 10.1021/acs.jnatprod.6b00508
Properties
HBA 4 HBD 2
HeavyAtoms 34 AlogP 6.50
TPSA 74.60 RotatableBonds 6
FractionCSP3 0.73 Rings 4
AromaticRings 0 AliphaticRings 4