TPCN05393
Name | Quinovic acid 3-O-??-L-rhamnopyranosyl-(4??1)-??-D-glucopyranoside;Rubelloside A |
Molecular Formula | C42H66O14 |
Molecular Weight | 794.98 |
CAS Registry Number | 167882-67-9 |
SMILES | CC1CCC2(C(=O)O)CCC3(C(=O)O)C(=CCC4C5(C)CCC(OC6OC(C)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(C)(C)C5CCC43C)C2C1C |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Rubiaceae | Adina rubella | Roots | 0.001680% | Phytochemistry. 1997. 44, 1139-1143. | 10.1016/s0031-9422(96)00660-7. |
Rubiaceae | Adina rubella | Roots | 0.001680% | Phytochemistry. 1995. 39, 1241-1243. | 10.1016/0031-9422(95)00119-r. |
Rubiaceae | Neonauclea sessilifolia | Stems | 0.000857% | J Asian Nat Prod Res . 2004 Mar;6(1):1-6 | 10.1080/1028602031000082007 |
Properties
HBA | 14 | HBD | 8 |
HeavyAtoms | 56 | AlogP | 2.83 |
TPSA | 232.90 | RotatableBonds | 7 |
FractionCSP3 | 0.90 | Rings | 7 |
AromaticRings | 0 | AliphaticRings | 7 |