TPCN05871
![[object Object]](../../static/browser_molecular_png/TPCN05871.png)
| Name | ??-D-Glucopyranosiduronic acid, (3??,4??,16??,22??)-16,23,28-trihydroxy-22-[[2-(methylamino)benzoyl]oxy]olean-12-en-3-yl (9CI, ACI) |
| Molecular Formula | C44H65NO12 |
| Molecular Weight | 800.00 |
| CAS Registry Number | 182346-73-2 |
| SMILES | CNc1ccccc1C(=O)OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(CO)C5CCC4(C)C3(C)CC(O)C12CO |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Apocynaceae | Gymnema inodorum | Leaves | 0.000033% | Jpn J Pharmacol. 2001 Jun;86(2):223-9. | 10.1254/jjp.86.223. |
Properties
| HBA | 13 | HBD | 8 |
| HeavyAtoms | 57 | AlogP | 3.88 |
| TPSA | 215.47 | RotatableBonds | 8 |
| FractionCSP3 | 0.77 | Rings | 7 |
| AromaticRings | 1 | AliphaticRings | 6 |