Chem
J-GLOBAL ID：200907035015922360   Nikkaji number：J1.124.664H

3,4-Dihydroxyphenethyl 3-O-(3-O-β-D-glucopyranosyl-α-L-rhamnopyranosyl)-6-O-(3,4-dihydroxycinnamoyl)-β-D-glucopyranoside

3,4-ジヒドロキシフェネチル3-O-(3-O-β-D-グルコピラノシル-α-L-ラムノピラノシル)-6-O-(3,4-ジヒドロキシシンナモイル)-β-D-グルコピラノシド
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： C35H46O20
Molecular formula furigana： C35-H46-O20
Molecular weight： 786.733
InChI： InChI=1S/C35H46O20/c1-14-24(42)31(54-34-28(46)27(45)25(43)21(12-36)52-34)30(48)35(51-14)55-32-26(44)22(13-50-23(41)7-4-15-2-5-17(37)19(39)10-15)53-33(29(32)47)49-9-8-16-3-6-18(38)20(40)11-16/h2-7,10-11,14,21-22,24-40,42-48H,8-9,12-13H2,1H3/b7-4+/t14-,21+,22+,24-,25+,26+,27-,28+,29+,30+,31+,32-,33+,34-,35-/m0/s1
InChI key： OMMBZUHGYBEYTJ-UOUKSPPRSA-N
SMILES： C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](COC(=O)/C=C/c3ccc(O)c(O)c3)O[C@@H](OCCc3ccc(O)c(O)c3)[C@@H]2O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O
Systematic name  (3)：
  • 3,4-ジヒドロキシフェネチル3-O-(3-O-β-D-グルコピラノシル-α-L-ラムノピラノシル)-6-O-(3,4-ジヒドロキシシンナモイル)-β-D-グルコピラノシド
  • [(2R,3R,4S,5R,6R)-4-{[(2S,3R,4R,5S,6S)-3,5-ジヒドロキシ-6-メチル-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}オキサン-2-イル]オキシ}-6-[2-(3,4-ジヒドロキシフェニル)エトキシ]-3,5-ジヒドロキシオキサン-2-イル]メチル (2E)-3-(3,4-ジヒドロキシフェニル)プロパ-2-エノアート
  • [(2R,3R,4S,5R,6R)-4-{[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxyoxan-2-yl]methyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Other name (1)：
  • 3,4-Dihydroxyphenethyl 3-O-(3-O-β-D-glucopyranosyl-α-L-rhamnopyranosyl)-6-O-(3,4-dihydroxycinnamoyl)-β-D-glucopyranoside
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