TPCN04469
![[object Object]](../../static/browser_molecular_png/TPCN04469.png)
| Name | Clethroidoside A |
| Molecular Formula | C47H78O17 |
| Molecular Weight | 915.12 |
| CAS Registry Number | 1335200-64-0 |
| SMILES | CC1(C)CCC2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OCC(OC7OC(CO)C(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 | 0.000500% | J Nat Prod 74(10): 2128-2136. | 10.1021/np2004038 |
Properties
| HBA | 17 | HBD | 11 |
| HeavyAtoms | 64 | AlogP | 0.22 |
| TPSA | 277.91 | RotatableBonds | 9 |
| FractionCSP3 | 0.96 | Rings | 8 |
| AromaticRings | 0 | AliphaticRings | 8 |