TPCN05463
![[object Object]](../../static/browser_molecular_png/TPCN05463.png)
| Name | Ixeris saponin B |
| Molecular Formula | C53H86O23 |
| Molecular Weight | 1091.25 |
| CAS Registry Number | 729598-53-2 |
| SMILES | CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1 |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Asteraceae | Ixeris sonchifolia | Whole plants | 0.000600% | Planta Med. 2003. 69, 1036-1041. | 10.1055/s-2003-45153 |
Properties
| HBA | 23 | HBD | 14 |
| HeavyAtoms | 76 | AlogP | -2.43 |
| TPSA | 374.13 | RotatableBonds | 11 |
| FractionCSP3 | 0.94 | Rings | 9 |
| AromaticRings | 0 | AliphaticRings | 9 |