TPCN04500
![[object Object]](../../static/browser_molecular_png/TPCN04500.png)
| Name | Saponin 3 |
| Molecular Formula | C65H102O33 |
| Molecular Weight | 1411.50 |
| CAS Registry Number | 172045-45-3 |
| SMILES | CC1OC(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(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Caryophyllaceae | Gypsophila oldhamiana | Roots | 0.000429% | J Nat Prod 58(10): 1632-1635. | 10.1021/np50124a029 |
Properties
| HBA | 33 | HBD | 18 |
| HeavyAtoms | 98 | AlogP | -5.45 |
| TPSA | 526.11 | RotatableBonds | 16 |
| FractionCSP3 | 0.92 | Rings | 11 |
| AromaticRings | 0 | AliphaticRings | 11 |