TPCN00534

Name 6??-O-acetylgeniposide
Molecular Formula C19H26O11
Molecular Weight 430.41
CAS Registry Number 1174662-69-1
SMILES COC(=O)C1=COC(OC2OC(COC(C)=O)C(O)C(O)C2O)C2C(CO)=CCC12
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Rubiaceae Gardeniae fructus Fruits 0.000160% Chem Biodivers, 2012, 9, 1490-1500. 10.1002/cbdv.201200030
Properties
HBA 11 HBD 4
HeavyAtoms 30 AlogP -1.66
TPSA 161.21 RotatableBonds 6
FractionCSP3 0.68 Rings 3
AromaticRings 0 AliphaticRings 3