TPCN04901
![[object Object]](../../static/browser_molecular_png/TPCN04901.png)
| Name | Gypoldoside A |
| Molecular Formula | C74H116O40 |
| Molecular Weight | 1645.70 |
| CAS Registry Number | 942927-62-0 |
| SMILES | CC1OC(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C=O)C5CCC4(C)C2(C)CC3O)C(OC2OC(C)C(OC3OCC(O)C(OC4OCC(O)C(O)C4OC4OCC(O)C(O)C4O)C3O)C(O)C2O)C(O)C1O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Caryophyllaceae | Gypsophila oldhamiana | Roots | 0.010000% | Chem Biodivers 4, 955-960 (2007). | 10.1002/cbdv.200790085 |
Properties
| HBA | 40 | HBD | 21 |
| HeavyAtoms | 114 | AlogP | -7.88 |
| TPSA | 623.72 | RotatableBonds | 19 |
| FractionCSP3 | 0.93 | Rings | 13 |
| AromaticRings | 0 | AliphaticRings | 13 |