Chem
J-GLOBAL ID：201707012857582668   Nikkaji number：J3.567.907C

2-(3,4-Dihydroxyphenyl)-8-[1-[2-(4-hydroxy-3-methoxyphenyl)-3,5,7-trihydroxychroman-8-yl]ethyl]-3-(β-D-glucopyranosyloxy)chroman-5,7-diol

2-(3,4-ジヒドロキシフェニル)-8-[1-[2-(4-ヒドロキシ-3-メトキシフェニル)-3,5,7-トリヒドロキシクロマン-8-イル]エチル]-3-(β-D-グルコピラノシルオキシ)クロマン-5,7-ジオール
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： C39H42O17
Molecular formula furigana： C39-H42-O17
Molecular weight： 782.748
InChI： InChI=1S/C39H42O17/c1-14(30-24(46)11-21(43)17-9-26(48)35(55-37(17)30)16-4-6-20(42)27(8-16)52-2)31-25(47)12-22(44)18-10-28(53-39-34(51)33(50)32(49)29(13-40)54-39)36(56-38(18)31)15-3-5-19(41)23(45)7-15/h3-8,11-12,14,26,28-29,32-36,39-51H,9-10,13H2,1-2H3/t14?,26?,28?,29-,32-,33+,34-,35?,36?,39-/m1/s1
InChI key： PNNOQGUUCRENMX-VXZVKQHQSA-N
SMILES： COc1cc(ccc1O)C1Oc2c(CC1O)c(O)cc(O)c2C(C)c1c(O)cc(O)c2CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(Oc12)c1ccc(O)c(O)c1
Systematic name  (3)：
  • 2-(3,4-ジヒドロキシフェニル)-8-[1-[2-(4-ヒドロキシ-3-メトキシフェニル)-3,5,7-トリヒドロキシクロマン-8-イル]エチル]-3-(β-D-グルコピラノシルオキシ)クロマン-5,7-ジオール
  • 8-{1-[2-(3,4-ジヒドロキシフェニル)-5,7-ジヒドロキシ-3-{[(2R,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}-3,4-ジヒドロ-2H-1-ベンゾピラン-8-イル]エチル}-2-(4-ヒドロキシ-3-メトキシフェニル)-3,4-ジヒドロ-2H-1-ベンゾピラン-3,5,7-トリオール
  • 8-{1-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-8-yl]ethyl}-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
Other name (1)：
  • 2-(3,4-Dihydroxyphenyl)-8-[1-[2-(4-hydroxy-3-methoxyphenyl)-3,5,7-trihydroxychroman-8-yl]ethyl]-3-(β-D-glucopyranosyloxy)chroman-5,7-diol
Thsaurus map：
Thesaurus Map

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