Chem
J-GLOBAL ID：200907048279997193   Nikkaji number：J523.932J

3-[(2-O-β-D-Xylopyranosyl-β-D-glucopyranosyl)oxy]-3′,4′,5,5′,7-pentahydroxyflavone

3-[(2-O-β-D-キシロピラノシル-β-D-グルコピラノシル)オキシ]-3′,4′,5,5′,7-ペンタヒドロキシフラボン
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： C26H28O17
Molecular formula furigana： C26-H28-O17
Molecular weight： 612.493
InChI： InChI=1S/C26H28O17/c27-5-14-18(35)20(37)24(43-25-21(38)17(34)12(32)6-39-25)26(41-14)42-23-19(36)15-9(29)3-8(28)4-13(15)40-22(23)7-1-10(30)16(33)11(31)2-7/h1-4,12,14,17-18,20-21,24-35,37-38H,5-6H2/t12-,14-,17+,18-,20+,21-,24-,25+,26+/m1/s1
InChI key： MMKMIFKDPPAMLJ-JWYZLBFDSA-N
SMILES： OC[C@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)c2cc(O)c(O)c(O)c2)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O
Systematic name  (3)：
  • 3-[(2-O-β-D-キシロピラノシル-β-D-グルコピラノシル)オキシ]-3′,4′,5,5′,7-ペンタヒドロキシフラボン
  • 3-{[(2S,3R,4S,5S,6R)-4,5-ジヒドロキシ-6-(ヒドロキシメチル)-3-{[(2S,3R,4S,5R)-3,4,5-トリヒドロキシオキサン-2-イル]オキシ}オキサン-2-イル]オキシ}-5,7-ジヒドロキシ-2-(3,4,5-トリヒドロキシフェニル)-4H-クロメン-4-オン
  • 3-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one
Other name (1)：
  • 3-[(2-O-β-D-Xylopyranosyl-β-D-glucopyranosyl)oxy]-3′,4′,5,5′,7-pentahydroxyflavone
Thsaurus map：
Thesaurus Map

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