TPCN05662
![[object Object]](../../static/browser_molecular_png/TPCN05662.png)
| Name | Bernardiosides D;Bellissaponin BS2 |
| Molecular Formula | C59H96O27 |
| Molecular Weight | 1237.39 |
| CAS Registry Number | 112515-98-7 |
| SMILES | CC1OC(OC2C(O)COC(OC3C(C)OC(OC4C(OC(=O)C56CCC(C)(C)CC5C5=CCC7C8(C)CC(O)C(OC9OC(CO)C(O)C(O)C9O)C(C)(CO)C8CCC7(C)C5(C)CC6O)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 | 0.132500% | J Nat Prod. 1996 Oct;59(10):939-43. | 10.1021/np960400t. |
| Asteraceae | Bellis sylvestris | Whole plants | 0.021750% | J Nat Prod. 1996 Apr;59(4):355-9. | 10.1021/np9600715. |
Properties
| HBA | 27 | HBD | 16 |
| HeavyAtoms | 86 | AlogP | -3.58 |
| TPSA | 433.05 | RotatableBonds | 12 |
| FractionCSP3 | 0.95 | Rings | 10 |
| AromaticRings | 0 | AliphaticRings | 10 |