TPCN04945
![[object Object]](../../static/browser_molecular_png/TPCN04945.png)
| Name | Saponin 3 |
| Molecular Formula | C75H118O40 |
| Molecular Weight | 1659.73 |
| CAS Registry Number | 1221966-70-6 |
| SMILES | CC1OC(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C=O)C5CCC4(C)C2(C)CC3)C(OC2OC(C)C(OC3OCC(O)C(OC4OCC(O)C(O)C4O)C3O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C1O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Caryophyllaceae | Gypsophila arrostii | Barks | 0.004286% | Bioorg Med Chem 21, 1279-1283 (2013). | 10.1016/j.bmc.2012.12.036 |
Properties
| HBA | 40 | HBD | 21 |
| HeavyAtoms | 115 | AlogP | -7.49 |
| TPSA | 623.72 | RotatableBonds | 20 |
| FractionCSP3 | 0.93 | Rings | 13 |
| AromaticRings | 0 | AliphaticRings | 13 |