TPCN05697
![[object Object]](../../static/browser_molecular_png/TPCN05697.png)
| Name | Bernardiosides B1 |
| Molecular Formula | C53H84O23 |
| Molecular Weight | 1089.23 |
| CAS Registry Number | 181871-96-5 |
| SMILES | CC1OC(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC4(C)C2(C)CC3=O)C(OC2OC(C)C(OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C1O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Asteraceae | Bellis bernardii | Whole plants | 0.007000% | J Nat Prod. 1996 Oct;59(10):939-43. | 10.1021/np960400t. |
Properties
| HBA | 23 | HBD | 13 |
| HeavyAtoms | 76 | AlogP | -2.22 |
| TPSA | 370.97 | RotatableBonds | 10 |
| FractionCSP3 | 0.92 | Rings | 9 |
| AromaticRings | 0 | AliphaticRings | 9 |