Chem
J-GLOBAL ID：200907011346059437   Nikkaji number：J1.056.160D

2-[2-[3-Hydroxy-5-(β-D-glucopyranosyloxy)phenyl]ethenyl]-5-(β-D-glucopyranosyloxy)phenol

マルベロシドA
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： C26H32O14
Molecular formula furigana： C26-H32-O14
Molecular weight： 568.528
InChI： InChI=1S/C26H32O14/c27-9-17-19(31)21(33)23(35)25(39-17)37-14-4-3-12(16(30)8-14)2-1-11-5-13(29)7-15(6-11)38-26-24(36)22(34)20(32)18(10-28)40-26/h1-8,17-36H,9-10H2/t17-,18-,19-,20-,21+,22+,23-,24-,25-,26-/m1/s1
InChI key： HPSWAEGGWLOOKT-PCIRLDFKSA-N
SMILES： OC[C@H]1O[C@@H](Oc2ccc(C=Cc3cc(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3)：
  • 2-[2-[3-ヒドロキシ-5-(β-D-グルコピラノシルオキシ)フェニル]エテニル]-5-(β-D-グルコピラノシルオキシ)フェノール
  • (2S,3R,4S,5S,6R)-2-{3-ヒドロキシ-4-[2-(3-ヒドロキシ-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}フェニル)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-{3-hydroxy-4-[2-(3-hydroxy-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethenyl]phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (2)：
  • 2-[2-[3-Hydroxy-5-(β-D-glucopyranosyloxy)phenyl]ethenyl]-5-(β-D-glucopyranosyloxy)phenol
  • マルベロシドA
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