Chem
J-GLOBAL ID:201007032032271669   Nikkaji number:J2.824.387A

2-(4-Hydroxyphenyl)-4-oxo-5-hydroxy-4H-1-benzopyran-7-yl 2-O-(6-oxo-β-D-glucopyranosyl)-6-O-(α-L-rhamnopyranosyl)-β-D-glucopyranoside

2-(4-ヒドロキシフェニル)-4-オキソ-5-ヒドロキシ-4H-1-ベンゾピラン-7-イル2-O-(6-オキソ-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: C33H38O20
Molecular formula furigana: C33-H38-O20
Molecular weight: 754.647
InChI: InChI=1S/C33H38O20/c1-10-20(37)22(39)26(43)31(48-10)47-9-18-21(38)24(41)29(53-32-27(44)23(40)25(42)28(52-32)30(45)46)33(51-18)49-13-6-14(35)19-15(36)8-16(50-17(19)7-13)11-2-4-12(34)5-3-11/h2-8,10,18,20-29,31-35,37-44H,9H2,1H3,(H,45,46)/t10-,18+,20-,21+,22+,23-,24-,25-,26+,27+,28-,29+,31+,32-,33+/m0/s1
InChI key: KZWVERYEYHHLGH-HGQIORGUSA-N
SMILES: C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4c(c3)oc(cc4=O)c3ccc(O)cc3)[C@H](O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
Systematic name  (3):
  • 2-(4-ヒドロキシフェニル)-4-オキソ-5-ヒドロキシ-4H-1-ベンゾピラン-7-イル2-O-(6-オキソ-β-D-グルコピラノシル)-6-O-(α-L-ラムノピラノシル)-β-D-グルコピラノシド
  • (2S,3S,4S,5R,6R)-6-{[(2S,3R,4S,5S,6R)-4,5-ジヒドロキシ-2-{[5-ヒドロキシ-2-(4-ヒドロキシフェニル)-4-オキソ-4H-クロメン-7-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-3-イル]オキシ}-3,4,5-トリヒドロキシオキサン-2-カルボン酸
  • (2S,3S,4S,5R,6R)-6-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
Other name (1):
  • 2-(4-Hydroxyphenyl)-4-oxo-5-hydroxy-4H-1-benzopyran-7-yl 2-O-(6-oxo-β-D-glucopyranosyl)-6-O-(α-L-rhamnopyranosyl)-β-D-glucopyranoside
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