Chem
J-GLOBAL ID:200907017076498504   Nikkaji number:J1.801.678H

Gnemonoside G

グネモノシドG
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: C54H52O19
Molecular formula furigana: C54-H52-O19
Molecular weight: 1004.991
InChI: InChI=1S/C54H52O19/c55-22-39-45(62)47(64)49(66)53(72-39)68-33-11-3-24(4-12-33)1-2-25-15-35(60)43-37(16-25)70-51(26-5-9-30(57)10-6-26)42(43)29-19-36(61)44-38(20-29)71-52(41(44)28-17-31(58)21-32(59)18-28)27-7-13-34(14-8-27)69-54-50(67)48(65)46(63)40(23-56)73-54/h1-21,39-42,45-67H,22-23H2/b2-1+/t39-,40-,41+,42+,45-,46-,47+,48+,49-,50-,51-,52-,53-,54-/m1/s1
InChI key: DFTCAVAURYWFND-YDTSXNSISA-N
SMILES: OC[C@H]1O[C@@H](Oc2ccc(/C=C/c3cc4O[C@@H]([C@H](c4c(O)c3)c3cc4O[C@@H]([C@H](c4c(O)c3)c3cc(O)cc(O)c3)c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)c3ccc(O)cc3)cc2)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3):
  • (2S,2′S,3S,3′S)-2-(4-ヒドロキシフェニル)-2′-[4-(β-D-グルコピラノシルオキシ)フェニル]-3′-(3,5-ジヒドロキシフェニル)-6-[(E)-4-(β-D-グルコピラノシルオキシ)スチリル]-2,2′,3,3′-テトラヒドロ-3,6′-ビ[ベンゾフラン]-4,4′-ジオール
  • (2S,3R,4S,5S,6R)-2-{4-[(1E)-2-[(2S,3S)-3-[(2S,3S)-3-(3,5-ジヒドロキシフェニル)-4-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-6-イル]-4-ヒドロキシ-2-(4-ヒドロキシフェニル)-2,3-ジヒドロ-1-ベンゾフラン-6-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-[(2S,3S)-3-(3,5-dihydroxyphenyl)-4-hydroxy-2-(4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-2,3-dihydro-1-benzofuran-6-yl]-4-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-6-yl]ethenyl]phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (3):
  • (2S,2′S,3S,3′S)-2-(4-Hydroxyphenyl)-2′-[4-(β-D-glucopyranosyloxy)phenyl]-3′-(3,5-dihydroxyphenyl)-6-[(E)-4-(β-D-glucopyranosyloxy)styryl]-2,2′,3,3′-tetrahydro-3,6′-bi[benzofuran]-4,4′-diol
  • グネモノシドG
  • Gnemonoside G
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