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 |