TPCN04913
![[object Object]](../../static/browser_molecular_png/TPCN04913.png)
| Name | Cephalariasaponin A |
| Molecular Formula | C53H86O22 |
| Molecular Weight | 1075.25 |
| CAS Registry Number | 159650-08-5 |
| SMILES | CC1OC(OC2COC(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(=O)OC6OC(CO)C(O)C(O)C6O)CCC45C)C3(C)CO)C(O)C2O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Caprifoliaceae | Cephalaria transsylvanica | Flowers | 0.006900% | J Nat Prod 57, 1001-1003 (1994) | 10.1021/np50109a021 |
Properties
| HBA | 22 | HBD | 13 |
| HeavyAtoms | 75 | AlogP | -1.40 |
| TPSA | 353.90 | RotatableBonds | 11 |
| FractionCSP3 | 0.94 | Rings | 9 |
| AromaticRings | 0 | AliphaticRings | 9 |