Chem
J-GLOBAL ID：201807005243580856   Nikkaji number：J3.722.226G

Elengioside A

エレンギオシドA
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： C26H40O16
Molecular formula furigana： C26-H40-O16
Molecular weight： 608.590
InChI： InChI=1S/C26H40O16/c27-8-12-15(29)18(32)21(35)24(39-12)38-10-14-17(31)20(34)23(26(41-14)37-7-6-11-4-2-1-3-5-11)42-25-22(36)19(33)16(30)13(9-28)40-25/h1-5,12-36H,6-10H2/t12-,13-,14-,15-,16-,17-,18+,19+,20+,21-,22-,23-,24-,25+,26-/m1/s1
InChI key： FMCKPRMADZSLAS-VHCGVEJBSA-N
SMILES： OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OCCc3ccccc3)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3)：
  • フェネチル2-O,6-O-ジ-β-D-グルコピラノシル-β-D-グルコピラノシド
  • (2R,3R,4S,5S,6R)-2-{[(2R,3S,4S,5R,6R)-3,4-ジヒドロキシ-6-(2-フェニルエトキシ)-5-{[(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]メトキシ}-6-(ヒドロキシメチル)オキサン-3,4,5-トリオール
  • (2R,3R,4S,5S,6R)-2-{[(2R,3S,4S,5R,6R)-3,4-dihydroxy-6-(2-phenylethoxy)-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (3)：
  • Phenethyl 2-O,6-O-di-β-D-glucopyranosyl-β-D-glucopyranoside
  • エレンギオシドA
  • Elengioside A
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