| Compound Information | |
|---|---|
| ID | 250 |
| TrivialName | baisanqisaponin B |
| Type | OA |
| MF | C₆₄H₉₈O₂₀ |
| MolecularWeight | 1187.468 |
| IUPACName | NT |
| m/z | NT |
| Retention Time | NT |
| CCS | NT |
| Adducts | NT |
| Isomeric SMILES | CC1(C)[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](CO)O3)[C@@H](C(O[C@@H](CCCCCCC)[C@@H](O)CC#CC#C[C@@H](O)C=C)=O)O2)CC[C@@]4(C)C1CC[C@]5(C)C4CC=C6[C@@]5(C)CC[C@]7(C(O[C@H]8[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O8)=O)C6CC(C)(C)CC7 |
| Canonical SMILES | C=CC(O)C#CC#CCC(O)C(CCCCCCC)OC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)OC5OC(CO)C(O)C(O)C5O)CCC34C)C2(C)C)C(O)C(O)C1OC1OC(CO)C(O)C1O |
| Source | PJ |
| Functions | neuroprotective |
| Year | 2016 |
| References | |
| Structure |
|