Chem
J-GLOBAL ID:200907050054254153   Nikkaji number:J1.598.709J

3-[(2-O-β-D-Glucopyranosyl-6-O-α-L-rhamnopyranosyl-β-D-glucopyranosyl)oxy]-3′-methoxy-4′,5,7-trihydroxyflavone

3-[(2-O-β-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]-3′-メトキシ-4′,5,7-トリ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: C34H42O21
Molecular formula furigana: C34-H42-O21
Molecular weight: 786.689
InChI: InChI=1S/C34H42O21/c1-10-20(39)24(43)27(46)32(50-10)49-9-18-22(41)26(45)31(55-33-28(47)25(44)21(40)17(8-35)52-33)34(53-18)54-30-23(42)19-14(38)6-12(36)7-16(19)51-29(30)11-3-4-13(37)15(5-11)48-2/h3-7,10,17-18,20-22,24-28,31-41,43-47H,8-9H2,1-2H3/t10-,17+,18+,20-,21+,22+,24+,25-,26-,27+,28+,31+,32+,33-,34-/m0/s1
InChI key: IPNYNJAPZARORI-YBOQRESKSA-N
SMILES: COc1cc(ccc1O)c1oc2cc(O)cc(O)c2c(=O)c1O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3):
  • 3-[(2-O-β-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]-3′-メトキシ-4′,5,7-トリヒドロキシフラボン
  • 3-{[(2S,3R,4S,5S,6R)-4,5-ジヒドロキシ-3-{[(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}-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}-5,7-ジヒドロキシ-2-(4-ヒドロキシ-3-メトキシフェニル)-4H-クロメン-4-オン
  • 3-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one
Other name (1):
  • 3-[(2-O-β-D-Glucopyranosyl-6-O-α-L-rhamnopyranosyl-β-D-glucopyranosyl)oxy]-3′-methoxy-4′,5,7-trihydroxyflavone
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