Chem
J-GLOBAL ID:200907001576765343   Nikkaji number:J1.388.311D

2-(3,4-Dihydroxyphenyl)-3-[4-O-[4-O-(α-D-glucopyranosyl)-α-D-glucopyranosyl]-6-O-(α-L-rhamnopyranosyl)-β-D-glucopyranosyloxy]-5,7-dihydroxy-4H-1-benzopyran-4-one

2-(3,4-ジヒドロキシフェニル)-3-[4-O-[4-O-(α-D-グルコピラノシル)-α-D-グルコピラノシル]-6-O-(α-L-ラムノピラノシル)-β-D-グルコピラノシルオキシ]-5,7-ジヒドロキシ-4H-1-ベンゾピラン-4-オン
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: C39H50O26
Molecular formula furigana: C39-H50-O26
Molecular weight: 934.803
InChI: InChI=1S/C39H50O26/c1-10-21(46)24(49)28(53)36(58-10)57-9-19-34(64-38-30(55)26(51)33(18(8-41)61-38)63-37-29(54)25(50)22(47)17(7-40)60-37)27(52)31(56)39(62-19)65-35-23(48)20-15(45)5-12(42)6-16(20)59-32(35)11-2-3-13(43)14(44)4-11/h2-6,10,17-19,21-22,24-31,33-34,36-47,49-56H,7-9H2,1H3/t10-,17+,18+,19+,21-,22+,24+,25-,26+,27+,28+,29+,30+,31+,33+,34+,36+,37+,38+,39-/m0/s1
InChI key: ZVVRCLGNZJIXQX-DTGBOBCZSA-N
SMILES: C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(oc4cc(O)cc(O)c4c3=O)c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O[C@H]2O[C@H](CO)[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):
  • 2-(3,4-ジヒドロキシフェニル)-3-[4-O-[4-O-(α-D-グルコピラノシル)-α-D-グルコピラノシル]-6-O-(α-L-ラムノピラノシル)-β-D-グルコピラノシルオキシ]-5,7-ジヒドロキシ-4H-1-ベンゾピラン-4-オン
  • 3-{[(2S,3R,4R,5S,6R)-5-{[(2R,3R,4R,5S,6R)-3,4-ジヒドロキシ-6-(ヒドロキシメチル)-5-{[(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}オキサン-2-イル]オキシ}-3,4-ジヒドロキシ-6-({[(2R,3R,4R,5R,6S)-3,4,5-トリヒドロキシ-6-メチルオキサン-2-イル]オキシ}メチル)オキサン-2-イル]オキシ}-2-(3,4-ジヒドロキシフェニル)-5,7-ジヒドロキシ-4H-クロメン-4-オン
  • 3-{[(2S,3R,4R,5S,6R)-5-{[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one
Other name (1):
  • 2-(3,4-Dihydroxyphenyl)-3-[4-O-[4-O-(α-D-glucopyranosyl)-α-D-glucopyranosyl]-6-O-(α-L-rhamnopyranosyl)-β-D-glucopyranosyloxy]-5,7-dihydroxy-4H-1-benzopyran-4-one
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