TPCN04520
![[object Object]](../../static/browser_molecular_png/TPCN04520.png)
| Name | Ilexsaponin D |
| Molecular Formula | C47H72O19 |
| Molecular Weight | 941.07 |
| CAS Registry Number | 1469715-55-6 |
| SMILES | CC1=C2C3=CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(C)(C(=O)O)C5CCC4(C)C3(C)CCC2(C(=O)OC2OC(CO)C(O)C(O)C2O)CCC1C |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Aquifoliaceae | Ilex pubescens | Roots | 0.000360% | J Asian Nat Prod Res 14(12): 1169-1174. | 10.1080/10286020.2012.738674 |
Properties
| HBA | 19 | HBD | 11 |
| HeavyAtoms | 66 | AlogP | -0.24 |
| TPSA | 312.05 | RotatableBonds | 9 |
| FractionCSP3 | 0.87 | Rings | 8 |
| AromaticRings | 0 | AliphaticRings | 8 |