TPCN06276

Name Kadcoccine acid A
Molecular Formula C32H48O5
Molecular Weight 512.73
CAS Registry Number 2022944-01-8
SMILES C=C1C(C(C)CC(O)C=C(C)C(=O)O)CCC2(C)C3=CCC4C(C)(C)C(OC(C)=O)CCC4(C)C3CC12
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Schisandraceae Kadsura coccinea Stems 0.000077% J Nat Prod . 2016 Oct 28;79(10):2590-2598 10.1021/acs.jnatprod.6b00508
Properties
HBA 5 HBD 2
HeavyAtoms 37 AlogP 6.72
TPSA 83.83 RotatableBonds 6
FractionCSP3 0.75 Rings 4
AromaticRings 0 AliphaticRings 4