Chem
J-GLOBAL ID：200907087784181020   Nikkaji number：J1.471.932F

1-O,6-O-Digalloyl-2-O-(4-hydroxycinnamoyl)-β-D-glucopyranose

1-O,6-O-ジガロイル-2-O-(4-ヒドロキシシンナモイル)-β-D-グルコピラノース
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： C29H26O16
Molecular formula furigana： C29-H26-O16
Molecular weight： 630.511
InChI： InChI=1S/C29H26O16/c30-15-4-1-12(2-5-15)3-6-21(35)44-26-25(39)24(38)20(11-42-27(40)13-7-16(31)22(36)17(32)8-13)43-29(26)45-28(41)14-9-18(33)23(37)19(34)10-14/h1-10,20,24-26,29-34,36-39H,11H2/b6-3+/t20-,24-,25+,26-,29+/m1/s1
InChI key： NWXQDDDDBQYZGE-VTULTLKESA-N
SMILES： O[C@@H]1[C@@H](COC(=O)c2cc(O)c(O)c(O)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)/C=C/c2ccc(O)cc2)[C@H]1O
Systematic name  (3)：
  • 1-O,6-O-ジガロイル-2-O-(4-ヒドロキシシンナモイル)-β-D-グルコピラノース
  • [(2R,3S,4S,5R,6S)-3,4-ジヒドロキシ-5-{[(2E)-3-(4-ヒドロキシフェニル)プロパ-2-エノイル]オキシ}-6-(3,4,5-トリヒドロキシベンゾイルオキシ)オキサン-2-イル]メチル 3,4,5-トリヒドロキシベンゾアート
  • [(2R,3S,4S,5R,6S)-3,4-dihydroxy-5-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-6-(3,4,5-trihydroxybenzoyloxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
Other name (1)：
  • 1-O,6-O-Digalloyl-2-O-(4-hydroxycinnamoyl)-β-D-glucopyranose
Thsaurus map：
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