Chem
J-GLOBAL ID：200907085500111190   Nikkaji number：J2.030.868K

2-(3,4-Dihydroxyphenyl)-3-(β-D-glucopyranosyloxy)-5,7-dihydroxy-8-β-D-glucopyranosyl-1-benzopyrylium

2-(3,4-ジヒドロキシフェニル)-3-(β-D-グルコピラノシルオキシ)-5,7-ジヒドロキシ-8-β-D-グルコピラノシル-1-ベンゾピリリウム
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： C27H31O15[O+]
Molecular formula furigana： C27-H31-O16
Molecular weight： 611.528
InChI： InChI=1S/C27H30O16/c28-6-15-18(34)20(36)22(38)26(40-15)17-13(33)5-11(31)9-4-14(41-27-23(39)21(37)19(35)16(7-29)42-27)24(43-25(9)17)8-1-2-10(30)12(32)3-8/h1-5,15-16,18-23,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t15-,16-,18-,19-,20+,21+,22-,23-,26+,27-/m1/s1
InChI key： KWUIVSWWTZBMHM-QCZQSUHWSA-O
SMILES： OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)c([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3[o+]c2c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3)：
  • 2-(3,4-ジヒドロキシフェニル)-3-(β-D-グルコピラノシルオキシ)-5,7-ジヒドロキシ-8-β-D-グルコピラノシル-1-ベンゾピリリウム
  • 2-(3,4-ジヒドロキシフェニル)-5,7-ジヒドロキシ-8-[(2S,3R,4R,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]-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}-1λ4-クロメン-1-イリウム
  • 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ4-chromen-1-ylium
Other name (1)：
  • 2-(3,4-Dihydroxyphenyl)-3-(β-D-glucopyranosyloxy)-5,7-dihydroxy-8-β-D-glucopyranosyl-1-benzopyrylium
Thsaurus map：
Thesaurus Map

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