Chem
J-GLOBAL ID:200907043037981126   Nikkaji number:J2.415.983C

3-[4-[2-O-(6-Deoxy-β-D-glucopyranosyl)-β-D-glucopyranosyloxy]phenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one

3-[4-[2-O-(6-デオキシ-β-D-グルコピラノシル)-β-D-グルコピラノシルオキシ]フェニル]-5,7-ジヒドロキシ-4H-1-ベンゾピラン-4-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: C27H30O14
Molecular formula furigana: C27-H30-O14
Molecular weight: 578.523
InChI: InChI=1S/C27H30O14/c1-10-19(31)22(34)24(36)26(38-10)41-25-23(35)21(33)17(8-28)40-27(25)39-13-4-2-11(3-5-13)14-9-37-16-7-12(29)6-15(30)18(16)20(14)32/h2-7,9-10,17,19,21-31,33-36H,8H2,1H3/t10-,17-,19-,21-,22+,23+,24-,25-,26+,27-/m1/s1
InChI key: SNJVNAXLTOIYQN-IJXALSMGSA-N
SMILES: C[C@H]1O[C@@H](O[C@H]2[C@H](Oc3ccc(cc3)c3coc4cc(O)cc(O)c4c3=O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3):
  • 3-[4-[2-O-(6-デオキシ-β-D-グルコピラノシル)-β-D-グルコピラノシルオキシ]フェニル]-5,7-ジヒドロキシ-4H-1-ベンゾピラン-4-オン
  • 3-(4-{[(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-メチルオキサン-2-イル]オキシ}オキサン-2-イル]オキシ}フェニル)-5,7-ジヒドロキシ-4H-クロメン-4-オン
  • 3-(4-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}phenyl)-5,7-dihydroxy-4H-chromen-4-one
Other name (1):
  • 3-[4-[2-O-(6-Deoxy-β-D-glucopyranosyl)-β-D-glucopyranosyloxy]phenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one
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