| Compound Information | |
|---|---|
| ID | 45 |
| TrivialName | Gypenoside XV |
| Type | PPD |
| MF | C₅₂H₈₈O₂₁ |
| MolecularWeight | 1049.255 |
| IUPACName | (2R,3R,4R,5R,6R)-2-[(2R,3S,4R,5R)-4,5-dihydroxy-2-[[(3S,5R,8R,9S,10S,12S,13R,14S,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-[[(2S,3S,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| m/z | 1093.5795 |
| Retention Time | 43.23 |
| CCS | 328.83 |
| 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)CO3)[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)CC/C=C(C)/C |
| Canonical SMILES | CC(C)=CCCC(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)C4OC4OCC(O)C(O)C4O)C(C)(C)C3CCC12C |
| Source | PN |
| Functions | Anti-apoptotic |
| Year | 1992 |
| References | |
| Structure |
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