TPCN05258
![[object Object]](../../static/browser_molecular_png/TPCN05258.png)
| Name | Cincholic acid 3-O-6-deoxy-??-D-glucopyranoside;Cincholic acid 3b-O-6-deoxy-b-Dallopyranoside |
| Molecular Formula | C36H56O9 |
| Molecular Weight | 632.84 |
| CAS Registry Number | 111665-41-9 |
| SMILES | CC1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)O)CCC34C(=O)O)C2(C)C)C(O)C(O)C1O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Rubiaceae | Ladenbergia hexandra | Barks | 0.034300% | Phytochemistry. 2017. 136, 147-155. | 10.1016/j.phytochem.2017.01.014 |
| Rubiaceae | Neonauclea sessilifolia | Stems | 0.000446% | J Asian Nat Prod Res . 2004 Mar;6(1):1-6 | 10.1080/1028602031000082007 |
Properties
| HBA | 9 | HBD | 5 |
| HeavyAtoms | 45 | AlogP | 5.15 |
| TPSA | 153.75 | RotatableBonds | 4 |
| FractionCSP3 | 0.89 | Rings | 6 |
| AromaticRings | 0 | AliphaticRings | 6 |