Chem
J-GLOBAL ID：200907045965016540   Nikkaji number：J348.344D

Hellicoside

ヘリコシド
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： C29H36O17
Molecular formula furigana： C29-H36-O17
Molecular weight： 656.590
InChI： InChI=1S/C29H36O17/c30-9-19-22(38)23(39)24(40)29(43-19)46-27-25(41)28(42-11-18(36)13-3-5-15(33)17(35)8-13)44-20(10-31)26(27)45-21(37)6-2-12-1-4-14(32)16(34)7-12/h1-8,18-20,22-36,38-41H,9-11H2/b6-2+/t18?,19-,20-,22-,23+,24-,25-,26-,27-,28-,29+/m1/s1
InChI key： IKASMYQBXBUEQS-BPYXVNRNSA-N
SMILES： OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCC(O)c3ccc(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]1O
Systematic name  (4)：
  • [2-(3,4-ジヒドロキシフェニル)-2-ヒドロキシエチル]4-O-[(E)-3-(3,4-ジヒドロキシフェニル)アクリロイル]-3-O-(β-D-グルコピラノシル)-β-D-グルコピラノシド
  • 2-ヒドロキシ-2-(3,4-ジヒドロキシフェニル)エチル3-O-β-D-グルコピラノシル-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)-6-[2-(3,4-ジヒドロキシフェニル)-2-ヒドロキシエトキシ]-5-ヒドロキシ-2-(ヒドロキシメチル)-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-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)-6-[2-(3,4-dihydroxyphenyl)-2-hydroxyethoxy]-5-hydroxy-2-(hydroxymethyl)-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Other name (4)：
  • ヘリコシド
  • Hellicoside
  • [2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl]4-O-[(E)-3-(3,4-dihydroxyphenyl)acryloyl]-3-O-(β-D-glucopyranosyl)-β-D-glucopyranoside
  • 2-Hydroxy-2-(3,4-dihydroxyphenyl)ethyl 3-O-β-D-glucopyranosyl-4-O-(3,4-dihydroxycinnamoyl)-β-D-glucopyranoside
KEGG COMPOUND： C10466
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