TPCN03883
![[object Object]](../../static/browser_molecular_png/TPCN03883.png)
| Name | Ilexsaponin B2 |
| Molecular Formula | C47H76O17 |
| Molecular Weight | 913.11 |
| CAS Registry Number | 108906-69-0 |
| SMILES | CC1OC(OC2C(OC3C(OC4CCC5(C)C(CCC6(C)C5CC=C5C7C(C(=O)O)(CCC(C)C7(C)O)CCC56C)C4(C)C)OCC(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Biebersteiniaceae | Aesculus turbinata | Seeds | 0.000400% | J Asian Nat Prod Res, 2008, 10, 259-265. | 10.1080/10286020701604904 |
Properties
| HBA | 17 | HBD | 10 |
| HeavyAtoms | 64 | AlogP | 1.34 |
| TPSA | 274.75 | RotatableBonds | 8 |
| FractionCSP3 | 0.94 | Rings | 8 |
| AromaticRings | 0 | AliphaticRings | 8 |