TPCN04785
![[object Object]](../../static/browser_molecular_png/TPCN04785.png)
| Name | Saponin 3 |
| Molecular Formula | C56H88O24 |
| Molecular Weight | 1145.30 |
| CAS Registry Number | 1028100-30-2 |
| SMILES | CC1OC(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(=O)C(C)C5CCC4(C)C2(C)CC3O)C(OC2OC(C)C(OC3OCC(O)C(OC4OCC(OC5OCC(O)C(O)C5O)C(O)C4O)C3O)C(O)C2O)C(O)C1O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Caryophyllaceae | Gypsophila oldhamiana | Roots | 0.000023% | Bioorg Med Chem 16(6): 2912-2920. | 10.1016/j.bmc.2007.12.053 |
Properties
| HBA | 24 | HBD | 12 |
| HeavyAtoms | 80 | AlogP | -1.45 |
| TPSA | 369.20 | RotatableBonds | 10 |
| FractionCSP3 | 0.93 | Rings | 10 |
| AromaticRings | 0 | AliphaticRings | 10 |