TPCN05243

Name Quinovic acid 3-O-6-deoxy-??-D-glucopyranoside;Quinovic acid 3b-O-6-deoxy-b-Dallopyranoside;3-O-??-D-quinovopyranosyl quinovic acid
Molecular Formula C36H56O9
Molecular Weight 632.84
CAS Registry Number 107870-05-3
SMILES CC1CCC2(C(=O)O)CCC3(C(=O)O)C(=CCC4C5(C)CCC(OC6OC(C)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Rubiaceae Ladenbergia hexandra Barks 0.260000% Phytochemistry. 2017. 136, 147-155. 10.1016/j.phytochem.2017.01.014
Rubiaceae Neonauclea sessilifolia Roots 0.005975% Chem Pharm Bull (Tokyo) . 2003 Nov;51(11):1335-7 10.1248/cpb.51.1335
Rubiaceae Neonauclea sessilifolia Stems 0.003036% J Asian Nat Prod Res . 2004 Mar;6(1):1-6 10.1080/1028602031000082007
Properties
HBA 9 HBD 5
HeavyAtoms 45 AlogP 5.01
TPSA 153.75 RotatableBonds 4
FractionCSP3 0.89 Rings 6
AromaticRings 0 AliphaticRings 6