TPCN05698
![[object Object]](../../static/browser_molecular_png/TPCN05698.png)
| Name | Bernardiosides B2 |
| Molecular Formula | C48H78O19 |
| Molecular Weight | 959.13 |
| CAS Registry Number | 181871-99-8 |
| SMILES | CC1OC(OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CC(O)C(O)C(C)(CO)C6CCC5(C)C3(C)CC4)OC(COC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Asteraceae | Bellis bernardii | Whole plants | 0.006500% | J Nat Prod. 1996 Oct;59(10):939-43. | 10.1021/np960400t. |
Properties
| HBA | 19 | HBD | 12 |
| HeavyAtoms | 67 | AlogP | -0.89 |
| TPSA | 315.21 | RotatableBonds | 9 |
| FractionCSP3 | 0.94 | Rings | 8 |
| AromaticRings | 0 | AliphaticRings | 8 |