Chem
J-GLOBAL ID:200907023567259919   Nikkaji number:J2.452.466C

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

7-[(4-O-β-D-グルコピラノシル-β-D-グルコピラノシル)オキシ]-3′,4′,5,6-テトラメトキシフラボン
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: C31H38O17
Molecular formula furigana: C31-H38-O17
Molecular weight: 682.628
InChI: InChI=1S/C31H38O17/c1-40-14-6-5-12(7-16(14)41-2)15-8-13(34)21-17(44-15)9-18(28(42-3)29(21)43-4)45-30-26(39)24(37)27(20(11-33)47-30)48-31-25(38)23(36)22(35)19(10-32)46-31/h5-9,19-20,22-27,30-33,35-39H,10-11H2,1-4H3/t19-,20-,22-,23+,24-,25-,26-,27-,30-,31+/m1/s1
InChI key: NFQSGUMEUIEJAI-XFJVUAJXSA-N
SMILES: COc1ccc(cc1OC)c1cc(=O)c2c(OC)c(OC)c(O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)cc2o1
Systematic name  (3):
  • 7-[(4-O-β-D-グルコピラノシル-β-D-グルコピラノシル)オキシ]-3′,4′,5,6-テトラメトキシフラボン
  • 7-{[(2S,3R,4R,5S,6R)-3,4-ジヒドロキシ-6-(ヒドロキシメチル)-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}オキサン-2-イル]オキシ}-2-(3,4-ジメトキシフェニル)-5,6-ジメトキシ-4H-クロメン-4-オン
  • 7-{[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-(3,4-dimethoxyphenyl)-5,6-dimethoxy-4H-chromen-4-one
Other name (1):
  • 7-[(4-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-3′,4′,5,6-tetramethoxyflavone
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