TPCN05466

Name Quinatoside A
Molecular Formula C34H52O8
Molecular Weight 588.78
CAS Registry Number 125003-15-8
SMILES C=C1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Lardizabalaceae Holboellia coriacea Stems 0.000600% Molecules. 2016. 21. 10.3390/molecules21060734.
Properties
HBA 8 HBD 5
HeavyAtoms 42 AlogP 4.20
TPSA 136.68 RotatableBonds 4
FractionCSP3 0.85 Rings 6
AromaticRings 0 AliphaticRings 6