TPCN05074
![[object Object]](../../static/browser_molecular_png/TPCN05074.png)
| Name | Saponin 5 |
| Molecular Formula | C80H118O38 |
| Molecular Weight | 1687.79 |
| CAS Registry Number | 1338731-22-8 |
| SMILES | COc1ccc(C=CC(=O)OC2C(C)OC(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(C(=O)O)C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(C)(C=O)C6CCC5(C)C3(C)CC4)C(OC3OC(C)C(OC4OCC(O)C(O)C4O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C2O)cc1 |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Caryophyllaceae | Gypsophila perfoliata | Roots | 0.000692% | Carbohydr Res 346, 2206-2212 (2011) | 10.1016/j.carres.2011.07.027 |
Properties
| HBA | 38 | HBD | 18 |
| HeavyAtoms | 118 | AlogP | -3.69 |
| TPSA | 580.10 | RotatableBonds | 22 |
| FractionCSP3 | 0.83 | Rings | 13 |
| AromaticRings | 1 | AliphaticRings | 12 |