TPCN04112
![[object Object]](../../static/browser_molecular_png/TPCN04112.png)
| Name | Candidoside |
| Molecular Formula | C52H86O21 |
| Molecular Weight | 1047.24 |
| CAS Registry Number | 259747-12-1 |
| SMILES | CC1(C)CCC2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OCC(OC7OC(CO)C(O)C(O)C7OC7OCC(O)C(O)C7O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1 |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Primulaceae | Lysimachia clethroides | Aerial parts | 0.000800% | J Nat Prod 74(10): 2128-2136. | 10.1021/np2004038 |
| Aquifoliaceae | Ilex cornuta | Roots | 0.000056% | Curr Med Sci 38, 976-981 (2018). | 10.1007/s11596-018-1972-4 |
Properties
| HBA | 21 | HBD | 13 |
| HeavyAtoms | 73 | AlogP | -1.31 |
| TPSA | 336.83 | RotatableBonds | 11 |
| FractionCSP3 | 0.96 | Rings | 9 |
| AromaticRings | 0 | AliphaticRings | 9 |