| Compound Information | |
|---|---|
| ID | 317 |
| TrivialName | Floranotoginsenoside A |
| Type | C17-side chain varied |
| MF | C₅₃H₉₀O₂₃ |
| MolecularWeight | 1095.28 |
| IUPACName | (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(E,2S)-2-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-hydroxy-6-methylhept-4-en-2-yl]-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-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| m/z | 1139.5831 |
| Retention Time | 14.9 |
| CCS | 356.51 |
| Adducts | [M−H+HCOOH]− |
| Isomeric SMILES | CC(O)(C)/C=C/C[C@](C)(O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]2[C@H](O)[C@@H](O)[C@H](CO)O2)O1)C3CC[C@@]4(C)[C@]5(C)CC([H])C6C(C)(C)[C@@H](O[C@H]7[C@H](O[C@H]8[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O8)[C@@H](O)[C@H](O)[C@@H](CO)O7)CC[C@]6(C)C5C[C@@H](O)C43 |
| Canonical SMILES | CC(C)(O)C=CCC(C)(OC1OC(COC2OC(CO)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 | NT |
| Year | 2009 |
| References | |
| Structure |
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