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Substance Name: Coriariin A
RN: 89871-78-3
InChIKey: BGZMXYWCTRIUII-UHFFFAOYSA-N

Molecular Formula

  • C82-H58-O52

Molecular Weight

  • 1875.3082
 
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Names and Synonyms

Results Name

  • Coriariin A

Synonym

  • Coriariin A

Systematic Name

  • beta-D-Glucopyranose, cyclic 4,6-((1S)-4,4',5,5',6,6'-hexahydroxy(1,1'-biphenyl)-2,2'-dicarboxylate) 1-(2-(5-(((4,6-O-(((1S)-4,4',5,5',6,6'-hexahydroxy(1,1'-biphenyl)-2,2'-diyl)dicarbonyl)-2,3-bis-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranosyl)oxy)carbonyl)-2,3-dihydroxyphenoxy)-3,4,5-trihydroxybenzoate) 2,3-bis(3,4,5-trihydroxybenzoate)

Registry Numbers

CAS Registry Number

  • 89871-78-3

System Generated Number

  • 0089871783

Structure Descriptors

InChI

1S/C82H58O52/c83-28-1-18(2-29(84)49(28)97)71(112)129-67-65-43(16-122-76(117)23-11-37(92)54(102)59(107)45(23)47-25(78(119)127-65)13-39(94)56(104)61(47)109)125-81(69(67)131-73(114)20-5-32(87)51(99)33(88)6-20)133-75(116)22-9-36(91)53(101)42(10-22)124-64-27(15-41(96)58(106)63(64)111)80(121)134-82-70(132-74(115)21-7-34(89)52(100)35(90)8-21)68(130-72(113)19-3-30(85)50(98)31(86)4-19)66-44(126-82)17-123-77(118)24-12-38(93)55(103)60(108)46(24)48-26(79(120)128-66)14-40(95)57(105)62(48)110/h1-15,43-44,65-70,81-111H,16-17H2

InChIKey

BGZMXYWCTRIUII-UHFFFAOYSA-N

Smiles

c1c(cc(c(c1O)O)O)C(=O)OC2C3C(COC(=O)c4cc(c(c(c4-c5c(cc(c(c5O)O)O)C(=O)O3)O)O)O)OC(C2OC(=O)c6cc(c(c(c6)O)O)O)OC(=O)c7cc(c(c(c7)Oc8c(cc(c(c8O)O)O)C(=O)OC9C(C(C1C(O9)COC(=O)c2cc(c(c(c2-c2c(cc(c(c2O)O)O)C(=O)O1)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O)O)O