Chem
J-GLOBAL ID：200907002076737021   Nikkaji number：J1.649.517D

4′-O-β-D-Glucopyranosylgentiopicroside

4′-O-β-D-グルコピラノシルゲンチオピクロシド
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C22H30O14
Molecular formula furigana： C22-H30-O14
Molecular weight： 518.467
InChI： InChI=1S/C22H30O14/c1-2-8-9-3-4-31-19(30)10(9)7-32-20(8)36-22-17(29)15(27)18(12(6-24)34-22)35-21-16(28)14(26)13(25)11(5-23)33-21/h2-3,7-8,11-18,20-29H,1,4-6H2/t8-,11-,12-,13-,14+,15-,16-,17-,18-,20+,21+,22+/m1/s1
InChI key： MEDNMSXQVOHQIF-WMYYSYIVSA-N
SMILES： OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@@H]3OC=C4C(=O)OCC=C4[C@H]3C=C)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3)：
  • (5R,6S)-5-ビニル-6-[4-O-(β-D-グルコピラノシル)-β-D-グルコピラノシルオキシ]-5,6-ジヒドロ-1H,3H-ピラノ[3,4-c]ピラン-1-オン
  • (5R,6S)-6-{[(2S,3R,4R,5S,6R)-3,4-ジヒドロキシ-6-(ヒドロキシメチル)-5-{[(2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}オキサン-2-イル]オキシ}-5-エテニル-1H,3H,5H,6H-ピラノ[3,4-c]ピラン-1-オン
  • (5R,6S)-6-{[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5-ethenyl-1H,3H,5H,6H-pyrano[3,4-c]pyran-1-one
Other name (3)：
  • (5R,6S)-5-Vinyl-6-[4-O-(β-D-glucopyranosyl)-β-D-glucopyranosyloxy]-5,6-dihydro-1H,3H-pyrano[3,4-c]pyran-1-one
  • 4′-O-β-D-グルコピラノシルゲンチオピクロシド
  • 4′-O-β-D-Glucopyranosylgentiopicroside
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