TPCN05052
![[object Object]](../../static/browser_molecular_png/TPCN05052.png)
| Name | Saponin 1 |
| Molecular Formula | C84H130O46 |
| Molecular Weight | 1875.92 |
| CAS Registry Number | 1338731-18-2 |
| SMILES | CC(=O)OC1C(C)OC(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)CC4O)C(OC3OC(C)C(OC4OCC(O)C(OC5OCC(O)C(OC6OCC(O)C(O)C6O)C5O)C4O)C(O)C3O)C2O)C(O)C1OC(C)=O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Caryophyllaceae | Gypsophila perfoliata | Roots | 0.000846% | Carbohydr Res 346, 2206-2212 (2011) | 10.1016/j.carres.2011.07.027 |
Properties
| HBA | 46 | HBD | 21 |
| HeavyAtoms | 130 | AlogP | -7.89 |
| TPSA | 694.78 | RotatableBonds | 23 |
| FractionCSP3 | 0.92 | Rings | 14 |
| AromaticRings | 0 | AliphaticRings | 14 |