| Compound Information | |
|---|---|
| ID | 2 |
| TrivialName | Chikusetsusaponin VI |
| Type | PPD |
| MF | C₅₉H₁₀₀O₂₇ |
| MolecularWeight | 1241.422 |
| IUPACName | 2-[[6-[2-[3-[4,5-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxy-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-en-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| 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]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)[C@@H](O)[C@H](O)[C@@H](CO[C@H]4[C@H](O)[C@@H](O)[C@H](O)CO4)O2)CC[C@@]5(C)C1CC[C@]6(C)C5C[C@@H](O)C7[C@@]6(C)CCC7[C@@](C)(O[C@H]8[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@@H]9[C@@H](O)[C@H](O)[C@@H](O)[C@H](CO)O9)O8)CC/C=C(C)/C |
| Canonical SMILES | CC(C)=CCCC(C)(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(COC5OCC(O)C(O)C5O)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC12C |
| Source | PpGa |
| Functions | Anti-inflammatory effects, Anti-cancer |
| Year | 1991 |
| References | |
| Structure |
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