Chem
J-GLOBAL ID：200907099799865579   Nikkaji number：J817.992A

2,6-Bis(β-D-glucopyranosyloxy)benzoic acid 2-(β-D-glucopyranosyloxy)benzyl ester

2,6-ビス(β-D-グルコピラノシルオキシ)安息香酸2-(β-D-グルコピラノシルオキシ)ベンジル
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： C32H42O20
Molecular formula furigana： C32-H42-O20
Molecular weight： 746.668
InChI： InChI=1S/C32H42O20/c33-8-16-20(36)23(39)26(42)30(50-16)47-13-5-2-1-4-12(13)11-46-29(45)19-14(48-31-27(43)24(40)21(37)17(9-34)51-31)6-3-7-15(19)49-32-28(44)25(41)22(38)18(10-35)52-32/h1-7,16-18,20-28,30-44H,8-11H2/t16-,17-,18-,20-,21-,22-,23+,24+,25+,26-,27-,28-,30-,31-,32-/m1/s1
InChI key： SQZOCVQMVDBDIF-QVUVXKILSA-N
SMILES： OC[C@H]1O[C@@H](Oc2ccccc2COC(=O)c2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cccc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3)：
  • 2,6-ビス(β-D-グルコピラノシルオキシ)安息香酸2-(β-D-グルコピラノシルオキシ)ベンジル
  • (2-{[(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)メチル 2,6-ビス({[(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})ベンゾアート
  • (2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl 2,6-bis({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})benzoate
Other name (1)：
  • 2,6-Bis(β-D-glucopyranosyloxy)benzoic acid 2-(β-D-glucopyranosyloxy)benzyl ester
Thsaurus map：
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