Chem
J-GLOBAL ID:200907025786210960   Nikkaji number:J796.725J

4-Hydroxy-3-[2-O-(β-D-glucopyranosyl)-β-D-glucopyranosyloxy]-6-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-2H-pyran-2-one

4-ヒドロキシ-3-[2-O-(β-D-グルコピラノシル)-β-D-グルコピラノシルオキシ]-6-[(E)-2-(3,4-ジヒドロキシフェニル)エテニル]-2H-ピラン-2-オン
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: C25H30O16
Molecular formula furigana: C25-H30-O16
Molecular weight: 586.499
InChI: InChI=1S/C25H30O16/c26-7-14-16(31)18(33)20(35)24(38-14)41-22-19(34)17(32)15(8-27)39-25(22)40-21-13(30)6-10(37-23(21)36)3-1-9-2-4-11(28)12(29)5-9/h1-6,14-20,22,24-35H,7-8H2/b3-1+/t14-,15-,16-,17-,18+,19+,20-,22-,24+,25+/m1/s1
InChI key: BTBVFWFZZKRBPJ-MTIAOMMDSA-N
SMILES: OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc2c(O)cc(/C=C/c3ccc(O)c(O)c3)oc2=O)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3):
  • 4-ヒドロキシ-3-[2-O-(β-D-グルコピラノシル)-β-D-グルコピラノシルオキシ]-6-[(E)-2-(3,4-ジヒドロキシフェニル)エテニル]-2H-ピラン-2-オン
  • 3-{[(2S,3R,4S,5S,6R)-4,5-ジヒドロキシ-6-(ヒドロキシメチル)-3-{[(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}-6-[(1E)-2-(3,4-ジヒドロキシフェニル)エテニル]-4-ヒドロキシ-2H-ピラン-2-オン
  • 3-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-6-[(1E)-2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxy-2H-pyran-2-one
Other name (1):
  • 4-Hydroxy-3-[2-O-(β-D-glucopyranosyl)-β-D-glucopyranosyloxy]-6-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-2H-pyran-2-one
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