Chem
J-GLOBAL ID：200907077967044809   Nikkaji number：J1.663.367D

Gnemonoside D

グネモノシドD
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： C34H32O11
Molecular formula furigana： C34-H32-O11
Molecular weight： 616.619
InChI： InChI=1S/C34H32O11/c35-16-27-30(40)31(41)32(42)34(45-27)43-24-9-3-17(4-10-24)1-2-18-11-25(39)29-26(12-18)44-33(19-5-7-21(36)8-6-19)28(29)20-13-22(37)15-23(38)14-20/h1-15,27-28,30-42H,16H2/b2-1+/t27-,28+,30-,31+,32-,33-,34-/m1/s1
InChI key： HWGLAKWMDNDFJI-HJTPYMFFSA-N
SMILES： OC[C@H]1O[C@@H](Oc2ccc(/C=C/c3cc4O[C@@H]([C@H](c4c(O)c3)c3cc(O)cc(O)c3)c3ccc(O)cc3)cc2)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3)：
  • (2S)-2α-(4-ヒドロキシフェニル)-3β-(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]-2,3-ジヒドロベンゾフラン-4-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)-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-(3,5-dihydroxyphenyl)-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)-2α-(4-Hydroxyphenyl)-3β-(3,5-dihydroxyphenyl)-6-[(E)-4-(β-D-glucopyranosyloxy)styryl]-2,3-dihydrobenzofuran-4-ol
  • グネモノシドD
  • Gnemonoside D
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