TPCN05693
![[object Object]](../../static/browser_molecular_png/TPCN05693.png)
| Name | Bernardiosides B4 |
| Molecular Formula | C59H94O26 |
| Molecular Weight | 1219.38 |
| CAS Registry Number | 163456-56-2 |
| SMILES | CC1OC(OC2C(O)COC(OC3C(C)OC(OC4C(OC(=O)C56CCC(C)(C)CC5C5=CCC7C8(C)CC(O)C(OC9OC(C)C(O)C(O)C9O)C(C)(CO)C8CCC7(C)C5(C)CC6=O)OC(C)C(O)C4O)C(O)C3O)C2O)C(O)C(O)C1O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Asteraceae | Bellis bernardii | Whole plants | 0.008000% | J Nat Prod. 1996 Oct;59(10):939-43. | 10.1021/np960400t. |
Properties
| HBA | 26 | HBD | 14 |
| HeavyAtoms | 85 | AlogP | -2.34 |
| TPSA | 409.66 | RotatableBonds | 11 |
| FractionCSP3 | 0.93 | Rings | 10 |
| AromaticRings | 0 | AliphaticRings | 10 |