TPCN00498

Name Gardenoside
Molecular Formula C17H24O11
Molecular Weight 404.37
CAS Registry Number 24512-62-7
SMILES COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1C=CC2(O)CO
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Rubiaceae Gardeniae fructus Fruits 0.000200% Chem Biodivers, 2012, 9, 1490-1508. 10.1002/cbdv.201200030
Properties
HBA 11 HBD 6
HeavyAtoms 28 AlogP -3.26
TPSA 175.37 RotatableBonds 5
FractionCSP3 0.71 Rings 3
AromaticRings 0 AliphaticRings 3