Chem
J-GLOBAL ID：200907067841661483   Nikkaji number：J1.904.314B

(3,4-Dihydroxy-5-methoxystyrylcarbonyl)6-O-[2-O-(3,5-dimethoxy-4-hydroxystyrylcarbonyl)-β-D-glucopyranosyl]-β-D-allopyranoside

(3,4-ジヒドロキシ-5-メトキシスチリルカルボニル)6-O-[2-O-(3,5-ジメトキシ-4-ヒドロキシスチリルカルボニル)-β-D-グルコピラノシル]-β-D-アロピラノシド
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： C33H40O19
Molecular formula furigana： C33-H40-O19
Molecular weight： 740.664
InChI： InChI=1S/C33H40O19/c1-45-17-9-14(8-16(35)24(17)38)4-7-23(37)52-32-30(44)28(42)27(41)21(50-32)13-48-33-31(29(43)26(40)20(12-34)49-33)51-22(36)6-5-15-10-18(46-2)25(39)19(11-15)47-3/h4-11,20-21,26-35,38-44H,12-13H2,1-3H3/t20-,21-,26-,27-,28-,29+,30-,31-,32+,33-/m1/s1
InChI key： GKSONHGXTXBVHW-RWVDPLBFSA-N
SMILES： COc1cc(C=CC(=O)O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3OC(=O)C=Cc3cc(OC)c(O)c(OC)c3)[C@@H](O)[C@@H](O)[C@H]2O)cc(O)c1O
Systematic name  (3)：
  • (3,4-ジヒドロキシ-5-メトキシスチリルカルボニル)6-O-[2-O-(3,5-ジメトキシ-4-ヒドロキシスチリルカルボニル)-β-D-グルコピラノシル]-β-D-アロピラノシド
  • (2S,3R,4R,5S,6R)-6-({[(2R,3R,4S,5S,6R)-4,5-ジヒドロキシ-3-{[3-(4-ヒドロキシ-3,5-ジメトキシフェニル)プロパ-2-エノイル]オキシ}-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}メチル)-3,4,5-トリヒドロキシオキサン-2-イル 3-(3,4-ジヒドロキシ-5-メトキシフェニル)プロパ-2-エノアート
  • (2S,3R,4R,5S,6R)-6-({[(2R,3R,4S,5S,6R)-4,5-dihydroxy-3-{[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl 3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enoate
Other name (1)：
  • (3,4-Dihydroxy-5-methoxystyrylcarbonyl)6-O-[2-O-(3,5-dimethoxy-4-hydroxystyrylcarbonyl)-β-D-glucopyranosyl]-β-D-allopyranoside
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