TPCN04987
![[object Object]](../../static/browser_molecular_png/TPCN04987.png)
| Name | Chionaeoside A |
| Molecular Formula | C53H84O24 |
| Molecular Weight | 1105.23 |
| CAS Registry Number | 958296-37-2 |
| SMILES | CC1(C)CCC2(C(=O)OC3OC(COC4OC(CO)C(O)C(OC5OC(CO)C(O)C(O)C5O)C4O)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(C(=O)O)C5CCC43C)C2C1 |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Caryophyllaceae | Paronychia chionaea | Roots | 0.002482% | J Nat Prod 70, 1830-1833 (2007). | 10.1021/np0704607 |
Properties
| HBA | 24 | HBD | 14 |
| HeavyAtoms | 77 | AlogP | -2.33 |
| TPSA | 391.20 | RotatableBonds | 12 |
| FractionCSP3 | 0.92 | Rings | 9 |
| AromaticRings | 0 | AliphaticRings | 9 |