| Compound Information | |
|---|---|
| ID | 284 |
| TrivialName | Notoginsenoside T5 |
| Type | C17-side chain varied |
| MF | C₄₁H₆₈O₁₂ |
| MolecularWeight | 752.983 |
| IUPACName | (2S,3R,4S,5R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-17-(6-methylhepta-1,5-dien-2-yl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol |
| m/z | 797.4684 |
| Retention Time | 45.04 |
| CCS | 297.53 |
| Adducts | [M−H+HCOOH]− |
| Isomeric SMILES | CC1(C)[C@@H](O[H])CC[C@@]2(C)C1[C@@H](O[C@H]3[C@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)CO4)[C@H](O)[C@@H](CO)O3)C[C@]5(C)C2C[C@@H](O)C6[C@@]5(C)CCC6C(CC/C=C(C)/C)=C |
| Canonical SMILES | C=C(CCC=C(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O)C(OC4OCC(O)C(O)C4O)C3O)CC12C |
| Source | PN |
| Functions | Anti-cancer, anti-inflammation |
| Year | 2004 |
| References | |
| Structure |
|