| Compound Information | |
|---|---|
| ID | 436 |
| TrivialName | notoginsenoside NL-C3 |
| Type | C17-side chain varied |
| MF | C₅₃H₈₈O₂₃ |
| MolecularWeight | 1093.264 |
| IUPACName | NT |
| m/z | 1137.5745 |
| Retention Time | 17.59 |
| CCS | 353.93 |
| Adducts | [M−H+HCOOH]− |
| Isomeric SMILES | CC1(C)[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)[C@@H](O)[C@H](O)[C@@H](CO)O2)CC[C@@]4(C)C1CC[C@]5(C)C4C[C@@H](O)C6[C@@]5(C)CCC6[C@@](C)(O[C@H]7[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]8[C@H](O)[C@@H](O)[C@H](O)CO8)O7)CCC(C(C)=C)=O |
| Canonical SMILES | C=C(C)C(=O)CCC(C)(OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC12C |
| Source | PN |
| Functions | anti-inflammatory |
| Year | 2020 |
| References | |
| Structure |
|