Chem
J-GLOBAL ID：200907090418837879   Nikkaji number：J356.487H

Rugosin A

ルゴシンA
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： C48H34O31
Molecular formula furigana： C48-H34-O31
Molecular weight： 1106.769
InChI： InChI=1S/C48H34O31/c49-17-1-11(2-18(50)29(17)57)43(68)77-40-39-26(75-48(79-45(70)13-5-21(53)31(59)22(54)6-13)41(40)78-44(69)12-3-19(51)30(58)20(52)4-12)10-73-46(71)15-9-25(74-38-16(42(66)67)8-24(56)33(61)37(38)65)34(62)36(64)28(15)27-14(47(72)76-39)7-23(55)32(60)35(27)63/h1-9,26,39-41,48-65H,10H2,(H,66,67)/t26-,39-,40+,41-,48+/m1/s1
InChI key： OMQLRKHSGHBOQC-DQLQDYHGSA-N
SMILES： OC(=O)c1cc(O)c(O)c(O)c1Oc1cc2c(c(O)c1O)c1c(O)c(O)c(O)cc1C(=O)O[C@@H]1[C@@H](COC2=O)O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1
Systematic name  (2)：
  • ガロイル2-O,3-O-ジガロイル-4-O,6-O-[[4′-(2,3,4-トリヒドロキシ-6-カルボキシフェノキシ)-2,2′,3,3′,4-ペンタヒドロキシ[1,1′-ビフェニル]-6,6′-ジイル]ジカルボニル]-β-D-グルコピラノシド
  • 1-O,2-O,3-O-トリガロイル-4-O,6-O-[2,2′,3,3′,4-ペンタヒドロキシ-4′-(2-カルボキシ-4,5,6-トリヒドロキシフェノキシ)[1,1′-ビフェニル]-6,6′-ジイルビス(カルボニル)]-β-D-グルコピラノース
Other name (4)：
  • ルゴシンA
  • Rugosin A
  • 1-O,2-O,3-O-Trigalloyl-4-O,6-O-[2,2′,3,3′,4-pentahydroxy-4′-(2-carboxy-4,5,6-trihydroxyphenoxy)[1,1′-biphenyl]-6,6′-diylbis(carbonyl)]-β-D-glucopyranose
  • Galloyl 2-O,3-O-digalloyl-4-O,6-O-[[4′-(2,3,4-trihydroxy-6-carboxyphenoxy)-2,2′,3,3′,4-pentahydroxy[1,1′-biphenyl]-6,6′-diyl]dicarbonyl]-β-D-glucopyranoside
CAS registry number： 84744-48-9
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