TPCN06185

Name Kadcoccine acid D
Molecular Formula C30H46O3
Molecular Weight 454.70
CAS Registry Number 2022944-04-1
SMILES C=C1C(C(C)CCC=C(C)C(=O)O)CCC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3CC12
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Schisandraceae Kadsura coccinea Stems 0.000331% J Nat Prod . 2016 Oct 28;79(10):2590-2598 10.1021/acs.jnatprod.6b00508
Properties
HBA 3 HBD 2
HeavyAtoms 33 AlogP 7.18
TPSA 57.53 RotatableBonds 5
FractionCSP3 0.77 Rings 4
AromaticRings 0 AliphaticRings 4