TPCN04399
![[object Object]](../../static/browser_molecular_png/TPCN04399.png)
| Name | Saponin 1 |
| Molecular Formula | C48H74O20 |
| Molecular Weight | 971.10 |
| CAS Registry Number | 172045-43-1 |
| SMILES | COC(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CCC(OC5OC(C(=O)O)C(O)C(OC6OCC(O)C(O)C6O)C5OC5OC(CO)C(O)C(O)C5O)C(C)(C=O)C4CCC3(C)C1(C)CC2O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Caryophyllaceae | Gypsophila oldhamiana | Roots | 0.000857% | J Nat Prod 58(10): 1632-1635. | 10.1021/np50124a029 |
Properties
| HBA | 20 | HBD | 10 |
| HeavyAtoms | 68 | AlogP | -0.32 |
| TPSA | 318.12 | RotatableBonds | 10 |
| FractionCSP3 | 0.90 | Rings | 8 |
| AromaticRings | 0 | AliphaticRings | 8 |