TPCN04769
![[object Object]](../../static/browser_molecular_png/TPCN04769.png)
| Name | Saponin 4 |
| Molecular Formula | C54H86O24 |
| Molecular Weight | 1119.26 |
| CAS Registry Number | 1028100-31-3 |
| SMILES | CC1(C)CCC2(C(=O)OC3OC(COC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC43C)C2C1 |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Caryophyllaceae | Gypsophila oldhamiana | Roots | 0.000033% | Bioorg Med Chem 16(6): 2912-2920. | 10.1016/j.bmc.2007.12.053 |
Properties
| HBA | 24 | HBD | 14 |
| HeavyAtoms | 78 | AlogP | -2.86 |
| TPSA | 391.20 | RotatableBonds | 13 |
| FractionCSP3 | 0.93 | Rings | 9 |
| AromaticRings | 0 | AliphaticRings | 9 |