TPCN04725
![[object Object]](../../static/browser_molecular_png/TPCN04725.png)
| Name | Saponin 1 |
| Molecular Formula | C48H74O21 |
| Molecular Weight | 987.10 |
| CAS Registry Number | 1028100-28-8 |
| SMILES | CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C=O)C5CCC43C)C2C1 |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Caryophyllaceae | Gypsophila oldhamiana | Roots | 0.000080% | Bioorg Med Chem 16(6): 2912-2920. | 10.1016/j.bmc.2007.12.053 |
Properties
| HBA | 21 | HBD | 12 |
| HeavyAtoms | 69 | AlogP | -1.05 |
| TPSA | 349.35 | RotatableBonds | 11 |
| FractionCSP3 | 0.90 | Rings | 8 |
| AromaticRings | 0 | AliphaticRings | 8 |