| Compound Information | |
|---|---|
| ID | 48 |
| TrivialName | Notoginsenoside D |
| Type | PPD |
| MF | C₆₄H₁₀₈O₃₁ |
| MolecularWeight | 1373.537 |
| IUPACName | (2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6S)-6-[(2S)-2-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-3-[(2R,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)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-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol |
| m/z | 1371.6779 |
| Retention Time | 17.81 |
| CCS | 388.73 |
| Adducts | [M−H]− |
| Isomeric SMILES | CC1(C)[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O[C@@H]4[C@@H](O)[C@H](O)[C@@H](O)CO4)[C@@H](O)[C@H](O)[C@@H](CO)O3)[C@@H](O)[C@H](O)[C@@H](CO)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[C@@H]%10[C@@H](O)[C@H](O)[C@@H](O)CO%10)O9)O8)CC/C=C(C)/C |
| Canonical SMILES | CC(C)=CCCC(C)(OC1OC(COC2OC(COC3OCC(O)C(O)C3O)C(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)C4OC4OCC(O)C(O)C4O)C(C)(C)C3CCC12C |
| Source | PN |
| Functions | Immunological Adjuvant Activity |
| Year | 1997 |
| References | |
| Structure |
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