Chem
J-GLOBAL ID：200907096974395689   Nikkaji number：J1.710.451I

Gnemonoside E

グネモノシドE
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： C40H42O16
Molecular formula furigana： C40-H42-O16
Molecular weight： 778.760
InChI： InChI=1S/C40H42O16/c41-16-28-32(46)34(48)36(50)39(55-28)52-25-7-2-18(3-8-25)1-4-20-11-24(45)15-27-30(20)31(21-12-22(43)14-23(44)13-21)38(54-27)19-5-9-26(10-6-19)53-40-37(51)35(49)33(47)29(17-42)56-40/h1-15,28-29,31-51H,16-17H2/b4-1+/t28-,29-,31+,32-,33-,34+,35+,36-,37-,38-,39-,40-/m1/s1
InChI key： ZYDYBBVQQUAKSD-DLSZBKKWSA-N
SMILES： OC[C@H]1O[C@@H](Oc2ccc(/C=C/c3cc(O)cc4O[C@@H]([C@H](c34)c3cc(O)cc(O)c3)c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)cc2)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3)：
  • (2S)-2α-[4-(β-D-グルコピラノシルオキシ)フェニル]-3β-(3,5-ジヒドロキシフェニル)-4-[4-(β-D-グルコピラノシルオキシ)-trans-スチリル]-2,3-ジヒドロベンゾフラン-6-オール
  • (2S,3R,4S,5S,6R)-2-{4-[(1E)-2-[(2S,3S)-3-(3,5-ジヒドロキシフェニル)-6-ヒドロキシ-2-(4-{[(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}フェニル)-2,3-ジヒドロ-1-ベンゾフラン-4-イル]エテニル]フェノキシ}-6-(ヒドロキシメチル)オキサン-3,4,5-トリオール
  • (2S,3R,4S,5S,6R)-2-{4-[(1E)-2-[(2S,3S)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-2,3-dihydro-1-benzofuran-4-yl]ethenyl]phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (3)：
  • (2S)-2α-[4-(β-D-Glucopyranosyloxy)phenyl]-3β-(3,5-dihydroxyphenyl)-4-[4-(β-D-glucopyranosyloxy)-trans-styryl]-2,3-dihydrobenzofuran-6-ol
  • グネモノシドE
  • Gnemonoside E
Thsaurus map：
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