TPCN04332
![[object Object]](../../static/browser_molecular_png/TPCN04332.png)
| Name | Dipsacus saponin XII |
| Molecular Formula | C71H116O36 |
| Molecular Weight | 1545.67 |
| CAS Registry Number | 149558-32-7 |
| SMILES | CC1OC(OC2C(O)C(OC3C(O)C(C)OC(OC4C(OC5CCC6(C)C(CCC7(C)C6CC=C6C8CC(C)(C)CCC8(C(=O)OC8OC(COC9OC(CO)C(O)C(O)C9O)C(O)C(O)C8O)CCC67C)C5(C)CO)OCC(O)C4O)C3O)OC(CO)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Caprifoliaceae | Dipsacus asper | Roots | 0.001548% | J Asian Nat Prod Res 13(9): 851-860. | 10.1080/10286020.2011.598858 |
Properties
| HBA | 36 | HBD | 21 |
| HeavyAtoms | 107 | AlogP | -6.90 |
| TPSA | 571.12 | RotatableBonds | 19 |
| FractionCSP3 | 0.96 | Rings | 12 |
| AromaticRings | 0 | AliphaticRings | 12 |