TPCN04542
![[object Object]](../../static/browser_molecular_png/TPCN04542.png)
| Name | Clethroidoside C |
| Molecular Formula | C53H86O21 |
| Molecular Weight | 1059.25 |
| CAS Registry Number | 1335200-66-2 |
| SMILES | CC1OC(OC2C(OC3COC(OC4CCC5(C)C(CCC6(C)C5CCC57OCC8(CCC(C)(C)CC85)C(=O)CC67C)C4(C)C)C(OC4OC(CO)C(O)C(O)C4O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Primulaceae | Lysimachia clethroides | Aerial parts | 0.000300% | J Nat Prod 74(10): 2128-2136. | 10.1021/np2004038 |
Properties
| HBA | 21 | HBD | 11 |
| HeavyAtoms | 74 | AlogP | -0.48 |
| TPSA | 322.67 | RotatableBonds | 10 |
| FractionCSP3 | 0.98 | Rings | 10 |
| AromaticRings | 0 | AliphaticRings | 10 |