Chem
J-GLOBAL ID：200907024496742989   Nikkaji number：J1.124.663J

3,4-Dihydroxyphenethyl 3-O-(3-O-β-D-glucopyranosyl-α-L-rhamnopyranosyl)-4-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)-4-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(43)31(54-34-27(46)26(45)25(44)21(12-36)51-34)28(47)35(50-14)55-32-29(48)33(49-9-8-16-3-6-18(39)20(41)11-16)52-22(13-37)30(32)53-23(42)7-4-15-2-5-17(38)19(40)10-15/h2-7,10-11,14,21-22,24-41,43-48H,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： UPUFWLLYIABQBF-JASYHDAHSA-N
SMILES： C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)[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)-4-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,4R,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]-5-ヒドロキシ-2-(ヒドロキシメチル)オキサン-3-イル (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,4R,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]-5-hydroxy-2-(hydroxymethyl)oxan-3-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Other name (1)：
  • 3,4-Dihydroxyphenethyl 3-O-(3-O-β-D-glucopyranosyl-α-L-rhamnopyranosyl)-4-O-(3,4-dihydroxycinnamoyl)-β-D-glucopyranoside
Thsaurus map：
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