TPCN06084
![[object Object]](../../static/browser_molecular_png/TPCN06084.png)
| Name | Quinovic acid 3-O-6-deoxy-??-D-glucopyranosyl(28??1)??-D-glucopyranosyl ester |
| Molecular Formula | C42H66O14 |
| Molecular Weight | 794.98 |
| CAS Registry Number | 124727-10-2 |
| SMILES | CC1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)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 | Neonauclea sessilifolia | Stems | 0.001071% | J Asian Nat Prod Res . 2004 Mar;6(1):1-6 | 10.1080/1028602031000082007 |
Properties
| HBA | 14 | HBD | 8 |
| HeavyAtoms | 56 | AlogP | 2.26 |
| TPSA | 232.90 | RotatableBonds | 6 |
| FractionCSP3 | 0.90 | Rings | 7 |
| AromaticRings | 0 | AliphaticRings | 7 |