Chem
J-GLOBAL ID：200907025343426502   Nikkaji number：J752.913I

4-O,6-O-[(4,4′,5,5′,6,6′-Hexahydroxy-1,1′-biphenyl-2,2′-diyl)bis(carbonyl)]-1-O,2-O-digalloyl-3-O-[4,5-dihydroxy-3-(galloyloxy)benzoyl]-β-D-glucopyranose

4-O,6-O-[(4,4′,5,5′,6,6′-ヘキサヒドロキシ-1,1′-ビフェニル-2,2′-ジイル)ビス(カルボニル)]-1-O,2-O-ジガロイル-3-O-[4,5-ジヒドロキシ-3-(ガロイルオキシ)ベンゾイル]-β-D-グルコピラノース
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： C48H34O30
Molecular formula furigana： C48-H34-O30
Molecular weight： 1090.770
InChI： InChI=1S/C48H34O30/c49-18-1-12(2-19(50)31(18)58)42(66)73-27-8-15(7-24(55)34(27)61)44(68)76-40-39-28(11-72-46(70)16-9-25(56)35(62)37(64)29(16)30-17(47(71)75-39)10-26(57)36(63)38(30)65)74-48(78-45(69)14-5-22(53)33(60)23(54)6-14)41(40)77-43(67)13-3-20(51)32(59)21(52)4-13/h1-10,28,39-41,48-65H,11H2/t28-,39-,40+,41-,48+/m1/s1
InChI key： HIUKMTGTFCEYJU-PIDGNOCJSA-N
SMILES： Oc1cc(cc(O)c1O)C(=O)O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3c3c(O)c(O)c(O)cc3C(=O)O[C@H]2[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1
Systematic name  (3)：
  • 4-O,6-O-[(4,4′,5,5′,6,6′-ヘキサヒドロキシ-1,1′-ビフェニル-2,2′-ジイル)ビス(カルボニル)]-1-O,2-O-ジガロイル-3-O-[4,5-ジヒドロキシ-3-(ガロイルオキシ)ベンゾイル]-β-D-グルコピラノース
  • (10R,11S,12R,13S,15R)-11-[3,4-ジヒドロキシ-5-(3,4,5-トリヒドロキシベンゾイルオキシ)ベンゾイルオキシ]-3,4,5,21,22,23-ヘキサヒドロキシ-8,18-ジオキソ-12-(3,4,5-トリヒドロキシベンゾイルオキシ)-9,14,17-トリオキサテトラシクロ[17.4.0.02,7.010,15]トリコサ-1(23),2,4,6,19,21-ヘキサエン-13-イル 3,4,5-トリヒドロキシベンゾアート
  • (10R,11S,12R,13S,15R)-11-[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoyloxy]-3,4,5,21,22,23-hexahydroxy-8,18-dioxo-12-(3,4,5-trihydroxybenzoyloxy)-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-13-yl 3,4,5-trihydroxybenzoate
Other name (1)：
  • 4-O,6-O-[(4,4′,5,5′,6,6′-Hexahydroxy-1,1′-biphenyl-2,2′-diyl)bis(carbonyl)]-1-O,2-O-digalloyl-3-O-[4,5-dihydroxy-3-(galloyloxy)benzoyl]-β-D-glucopyranose
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