Chem
J-GLOBAL ID：200907077349622451   Nikkaji number：J991.028J

Glucoisoquiritin apioside

グルコイソリクイリチンアピオシド
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： C32H40O18
Molecular formula furigana： C32-H40-O18
Molecular weight： 712.654
InChI： InChI=1S/C32H40O18/c33-10-20-22(38)24(40)26(42)29(48-20)47-16-6-7-17(19(37)9-16)18(36)8-3-14-1-4-15(5-2-14)46-30-27(25(41)23(39)21(11-34)49-30)50-31-28(43)32(44,12-35)13-45-31/h1-9,20-31,33-35,37-44H,10-13H2/b8-3+/t20-,21-,22-,23-,24+,25+,26-,27-,28+,29-,30-,31+,32-/m1/s1
InChI key： FYJCXNYYSACEJK-MRYIOYKESA-N
SMILES： OC[C@H]1O[C@@H](Oc2ccc(C(=O)/C=C/c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4OC[C@](O)(CO)[C@H]4O)cc3)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3)：
  • 2′-ヒドロキシ-4-(2-O-D-アピオ-β-D-フラノシル-β-D-グルコピラノシルオキシ)-4′-(β-D-グルコピラノシルオキシ)-trans-カルコン
  • (2E)-3-(4-{[(2S,3R,4S,5S,6R)-3-{[(2S,3R,4R)-3,4-ジヒドロキシ-4-(ヒドロキシメチル)オキソラン-2-イル]オキシ}-4,5-ジヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}フェニル)-1-(2-ヒドロキシ-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}フェニル)プロパ-2-エン-1-オン
  • (2E)-3-(4-{[(2S,3R,4S,5S,6R)-3-{[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-1-(2-hydroxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-en-1-one
Other name (3)：
  • 2′-Hydroxy-4-(2-O-D-apio-β-D-furanosyl-β-D-glucopyranosyloxy)-4′-(β-D-glucopyranosyloxy)-trans-chalcone
  • グルコイソリクイリチンアピオシド
  • Glucoisoquiritin apioside
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