TPCN05688
![[object Object]](../../static/browser_molecular_png/TPCN05688.png)
| Name | Bernardiosides A |
| Molecular Formula | C36H58O11 |
| Molecular Weight | 666.85 |
| CAS Registry Number | 121368-52-3 |
| SMILES | CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1 |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Asteraceae | Bellis bernardii | Whole plants | 0.012500% | J Nat Prod. 1996 Oct;59(10):939-43. | 10.1021/np960400t. |
Properties
| HBA | 11 | HBD | 8 |
| HeavyAtoms | 47 | AlogP | 1.97 |
| TPSA | 197.37 | RotatableBonds | 5 |
| FractionCSP3 | 0.92 | Rings | 6 |
| AromaticRings | 0 | AliphaticRings | 6 |