TPCN00454

Name 6??-O-p-coumaroylgeniposide
Molecular Formula C26H30O12
Molecular Weight 534.51
CAS Registry Number 1174662-66-8
SMILES COC(=O)C1=COC(OC2OC(COC(=O)C=Cc3ccc(O)cc3)C(O)C(O)C2O)C2C(CO)=CCC12
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Rubiaceae Gardeniae fructus Fruits 0.000260% Chem Biodivers, 2012, 9, 1490-1501. 10.1002/cbdv.201200030
Properties
HBA 12 HBD 5
HeavyAtoms 38 AlogP -0.26
TPSA 181.44 RotatableBonds 8
FractionCSP3 0.46 Rings 4
AromaticRings 1 AliphaticRings 3