TPCN05886
![[object Object]](../../static/browser_molecular_png/TPCN05886.png)
| Name | Uralsaponin S |
| Molecular Formula | C48H74O20 |
| Molecular Weight | 971.10 |
| CAS Registry Number | 1616062-83-9 |
| SMILES | CC1OC(OC2C(OC3C(OC4CCC5(C)C(CCC6(C)C5C(=O)C=C5C7CC(C)(C(=O)O)C(O)CC7(C)CCC56C)C4(C)C)OC(C(=O)O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Fabaceae | Glycyrrhiza uralensis | Roots | 0.000014% | J Nat Prod. 2014 Jul 25;77(7):1632-43. | 10.1021/np500253m. |
Properties
| HBA | 20 | HBD | 11 |
| HeavyAtoms | 68 | AlogP | -0.02 |
| TPSA | 329.12 | RotatableBonds | 9 |
| FractionCSP3 | 0.90 | Rings | 8 |
| AromaticRings | 0 | AliphaticRings | 8 |