TPCN05329
![[object Object]](../../static/browser_molecular_png/TPCN05329.png)
| Name | Gypsophilin |
| Molecular Formula | C30H46O8S |
| Molecular Weight | 566.76 |
| CAS Registry Number | 947150-87-0 |
| SMILES | C=C(C)C1CCC2(C(=O)O)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 | 0.004231% | Chem Pharm Bull (Tokyo). 2007. 55, 808-811. | 10.1248/cpb.55.808. |
Properties
| HBA | 8 | HBD | 3 |
| HeavyAtoms | 39 | AlogP | 5.98 |
| TPSA | 138.20 | RotatableBonds | 5 |
| FractionCSP3 | 0.87 | Rings | 5 |
| AromaticRings | 0 | AliphaticRings | 5 |