Chem
J-GLOBAL ID：200907084852310080   Nikkaji number：J716.973F

Licraside

リクラシド
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： C26H30O13
Molecular formula furigana： C26-H30-O13
Molecular weight： 550.513
InChI： InChI=1S/C26H30O13/c27-10-19-20(32)21(33)22(39-25-23(34)26(35,11-28)12-36-25)24(38-19)37-15-6-7-16(18(31)9-15)17(30)8-3-13-1-4-14(29)5-2-13/h1-9,19-25,27-29,31-35H,10-12H2/b8-3+/t19-,20-,21+,22-,23+,24-,25+,26-/m1/s1
InChI key： NIZFPXZQERMCLE-KVFWHIKKSA-N
SMILES： OC[C@H]1O[C@@H](Oc2ccc(C(=O)/C=C/c3ccc(O)cc3)c(O)c2)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@@H]1O
Systematic name  (3)：
  • (E)-1-[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]-2-ヒドロキシフェニル]-3-(4-ヒドロキシフェニル)-2-プロペン-1-オン
  • (2E)-1-(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}-2-ヒドロキシフェニル)-3-(4-ヒドロキシフェニル)プロパ-2-エン-1-オン
  • (2E)-1-(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}-2-hydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
Other name (5)：
  • リクラシド
  • Licraside
  • (E)-1-[4-[(2-O-D-Apio-β-D-furanosyl-β-D-glucopyranosyl)oxy]-2-hydroxyphenyl]-3-(4-hydroxyphenyl)-2-propen-1-one
  • リクラジド
  • Licurazid
CAS registry number： 29913-71-1
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