Chem
J-GLOBAL ID：201507048672053404
Nikkaji number：J3.360.125E
2-O,3-O-[(4,4′,5,5′,6,6′-Hexahydroxybiphenyl-2,2′-diyl)bis(carbonyl)]-4-O,6-O-[carbonyl(3,4,5-trihydroxy-o-phenylene)(2-oxo-6-carboxy-2H-pyran-3,4-diyl)carbonyl]-D-glucopyranose
2-O,3-O-[(4,4′,5,5′,6,6′-ヘキサヒドロキシビフェニル-2,2′-ジイル)ビス(カルボニル)]-4-O,6-O-[カルボニル(3,4,5-トリヒドロキシ-o-フェニレン)(2-オキソ-6-カルボキシ-2H-ピラン-3,4-ジイル)カルボニル]-D-グルコピラノース
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
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
Molecular formula： C34H22O23
Molecular formula furigana： C34-H22-O23
Molecular weight： 798.527
InChI：
InChI=1S/C34H22O23/c35-10-1-6-15(22(41)19(10)38)16-7(2-11(36)20(39)23(16)42)32(49)57-27-26(56-31(6)48)25-14(54-34(27)51)5-52-29(46)9-4-13(28(44)45)53-33(50)18(9)17-8(30(47)55-25)3-12(37)21(40)24(17)43/h1-4,14,25-27,34-43,51H,5H2,(H,44,45)/t14-,25-,26+,27-,34?/m1/s1
InChI key：
YCUXVPFUDHZACJ-FABVRVAOSA-N
SMILES：
OC1O[C@@H]2COC(=O)c3cc(oc(=O)c3c3c(O)c(O)c(O)cc3C(=O)O[C@H]2[C@@H]2OC(=O)c3cc(O)c(O)c(O)c3c3c(O)c(O)c(O)cc3C(=O)O[C@@H]12)C(=O)O
Systematic name (1)：
- 2-O,3-O-[(4,4′,5,5′,6,6′-ヘキサヒドロキシビフェニル-2,2′-ジイル)ビス(カルボニル)]-4-O,6-O-[カルボニル(3,4,5-トリヒドロキシ-o-フェニレン)(2-オキソ-6-カルボキシ-2H-ピラン-3,4-ジイル)カルボニル]-D-グルコピラノース
- 2-O,3-O-[(4,4′,5,5′,6,6′-Hexahydroxybiphenyl-2,2′-diyl)bis(carbonyl)]-4-O,6-O-[carbonyl(3,4,5-trihydroxy-o-phenylene)(2-oxo-6-carboxy-2H-pyran-3,4-diyl)carbonyl]-D-glucopyranose
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