Chem
J-GLOBAL ID：200907018248401024   Nikkaji number：J988.106I

2-(4-Hydroxy-3,5-dimethoxyphenyl)-3-(6-O-α-L-mannopyranosyl-β-D-glucopyranosyloxy)-5-(β-D-glucopyranosyloxy)-7-hydroxy-1-benzopyrylium

2-(4-ヒドロキシ-3,5-ジメトキシフェニル)-3-(6-O-α-L-マンノピラノシル-β-D-グルコピラノシルオキシ)-5-(β-D-グルコピラノシルオキシ)-7-ヒドロキシ-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： C35H45O21[O+]
Molecular formula furigana： C35-H45-O22
Molecular weight： 817.722
InChI： InChI=1S/C35H44O22/c1-49-16-3-11(4-17(50-2)22(16)39)32-18(7-13-14(52-32)5-12(38)6-15(13)53-34-30(47)27(44)24(41)20(9-37)56-34)54-35-31(48)28(45)25(42)21(57-35)10-51-33-29(46)26(43)23(40)19(8-36)55-33/h3-7,19-21,23-31,33-37,40-48H,8-10H2,1-2H3,(H-,38,39)/p+1/t19-,20+,21+,23-,24+,25+,26+,27-,28-,29+,30+,31+,33+,34+,35+/m0/s1
InChI key： FNNRUDIDSIGJQS-IUDIMLFZSA-O
SMILES： COc1cc(cc(OC)c1O)c1[o+]c2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2cc1O[C@@H]1O[C@H](CO[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-(4-ヒドロキシ-3,5-ジメトキシフェニル)-3-(6-O-α-L-マンノピラノシル-β-D-グルコピラノシルオキシ)-5-(β-D-グルコピラノシルオキシ)-7-ヒドロキシ-1-ベンゾピリリウム
  • 7-ヒドロキシ-2-(4-ヒドロキシ-3,5-ジメトキシフェニル)-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}-3-{[(2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-({[(2R,3R,4R,5R,6S)-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}メチル)オキサン-2-イル]オキシ}-1λ4-クロメン-1-イリウム
  • 7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1λ4-chromen-1-ylium
Other name (1)：
  • 2-(4-Hydroxy-3,5-dimethoxyphenyl)-3-(6-O-α-L-mannopyranosyl-β-D-glucopyranosyloxy)-5-(β-D-glucopyranosyloxy)-7-hydroxy-1-benzopyrylium
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