Chem
J-GLOBAL ID：200907053078236244   Nikkaji number：J2.672.481C

2-(3,4,5-Trihydroxyphenyl)-3-[6-O-(α-L-rhamnopyranosyl)-β-D-glucopyranosyloxy]-5-hydroxy-7-[6-O-[4-(β-D-glucopyranosyloxy)benzoyl]-β-D-glucopyranosyloxy]-1-benzopyrylium

2-(3,4,5-トリヒドロキシフェニル)-3-[6-O-(α-L-ラムノピラノシル)-β-D-グルコピラノシルオキシ]-5-ヒドロキシ-7-[6-O-[4-(β-D-グルコピラノシルオキシ)ベンゾイル]-β-D-グルコピラノシルオキシ]-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： C46H55O27[O+]
Molecular formula furigana： C46-H55-O28
Molecular weight： 1055.917
InChI： InChI=1S/C46H54O28/c1-14-28(51)33(56)37(60)43(67-14)66-13-27-32(55)36(59)40(63)46(74-27)71-24-10-19-20(48)8-18(9-23(19)70-41(24)16-6-21(49)29(52)22(50)7-16)69-45-39(62)35(58)31(54)26(73-45)12-65-42(64)15-2-4-17(5-3-15)68-44-38(61)34(57)30(53)25(11-47)72-44/h2-10,14,25-28,30-40,43-47,51,53-63H,11-13H2,1H3,(H3-,48,49,50,52)/p+1/t14-,25+,26+,27+,28-,30+,31+,32+,33+,34-,35-,36-,37+,38+,39+,40+,43+,44+,45+,46+/m0/s1
InChI key： IPRXGGCUJGQBGA-FGMFUZAMSA-O
SMILES： C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O[C@@H]5O[C@H](COC(=O)c6ccc(O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)cc6)[C@@H](O)[C@H](O)[C@H]5O)cc4[o+]c3c3cc(O)c(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 2-(3,4,5-トリヒドロキシフェニル)-3-[6-O-(α-L-ラムノピラノシル)-β-D-グルコピラノシルオキシ]-5-ヒドロキシ-7-[6-O-[4-(β-D-グルコピラノシルオキシ)ベンゾイル]-β-D-グルコピラノシルオキシ]-1-ベンゾピリリウム
  • 5-ヒドロキシ-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-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}-7-{[(2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-[(4-{[(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}ベンゾイルオキシ)メチル]オキサン-2-イル]オキシ}-2-(3,4,5-トリヒドロキシフェニル)-1λ4-クロメン-1-イリウム
  • 5-hydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoyloxy)methyl]oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-1λ4-chromen-1-ylium
Other name (1)：
  • 2-(3,4,5-Trihydroxyphenyl)-3-[6-O-(α-L-rhamnopyranosyl)-β-D-glucopyranosyloxy]-5-hydroxy-7-[6-O-[4-(β-D-glucopyranosyloxy)benzoyl]-β-D-glucopyranosyloxy]-1-benzopyrylium
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