TPCN04744
![[object Object]](../../static/browser_molecular_png/TPCN04744.png)
| Name | Clethroidoside B |
| Molecular Formula | C49H80O20 |
| Molecular Weight | 989.16 |
| CAS Registry Number | 1335200-65-1 |
| SMILES | CC(=O)OCC12C(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)C1CC(C)(C)C(O)C2O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Primulaceae | Lysimachia clethroides | Aerial parts | 0.000060% | J Nat Prod 74(10): 2128-2136. | 10.1021/np2004038 |
Properties
| HBA | 20 | HBD | 12 |
| HeavyAtoms | 69 | AlogP | -1.26 |
| TPSA | 324.44 | RotatableBonds | 10 |
| FractionCSP3 | 0.94 | Rings | 8 |
| AromaticRings | 0 | AliphaticRings | 8 |