TPCN05340
![[object Object]](../../static/browser_molecular_png/TPCN05340.png)
| Name | Gypsophilinoside |
| Molecular Formula | C36H56O13S |
| Molecular Weight | 728.90 |
| CAS Registry Number | 947150-88-1 |
| SMILES | C=C(C)C1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(CCC4C5(C)CCC(OS(=O)(=O)O)C(C)(C(=O)O)C5CCC43C)C12 |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Caryophyllaceae | Gypsophila repens | Roots | 0.003462% | Chem Pharm Bull (Tokyo). 2007. 55, 808-811. | 10.1248/cpb.55.809. |
Properties
| HBA | 13 | HBD | 6 |
| HeavyAtoms | 50 | AlogP | 3.24 |
| TPSA | 217.35 | RotatableBonds | 7 |
| FractionCSP3 | 0.89 | Rings | 6 |
| AromaticRings | 0 | AliphaticRings | 6 |