Chem
J-GLOBAL ID:200907050240587219   Nikkaji number:J2.429.774H

7-[(2-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-4′,5,6-trihydroxy-3′-methoxyflavone

7-[(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]-4′,5,6-トリヒドロキシ-3′-メトキシフラボン
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: C28H32O17
Molecular formula furigana: C28-H32-O17
Molecular weight: 640.547
InChI: InChI=1S/C28H32O17/c1-40-13-4-9(2-3-10(13)31)12-5-11(32)18-14(41-12)6-15(19(33)22(18)36)42-28-26(24(38)21(35)17(8-30)44-28)45-27-25(39)23(37)20(34)16(7-29)43-27/h2-6,16-17,20-21,23-31,33-39H,7-8H2,1H3/t16-,17-,20-,21-,23+,24+,25-,26-,27+,28-/m1/s1
InChI key: YPYVYQJEYDRCKV-JFECCKQBSA-N
SMILES: COc1cc(ccc1O)c1cc(=O)c2c(O)c(O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2o1
Systematic name  (3):
  • 7-[(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]-4′,5,6-トリヒドロキシ-3′-メトキシフラボン
  • 7-{[(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}-5,6-ジヒドロキシ-2-(4-ヒドロキシ-3-メトキシフェニル)-4H-クロメン-4-オン
  • 7-{[(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}-5,6-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one
Other name (1):
  • 7-[(2-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-4′,5,6-trihydroxy-3′-methoxyflavone
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