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Substance Name: Isorugosin D
RN: 95457-27-5
InChIKey: RRKSLFYXWXKOPJ-UHFFFAOYSA-N

Molecular Formula

  • C82-H58-O52

Molecular Weight

  • 1875.3082
 
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Names and Synonyms

Results Name

  • Isorugosin D

Synonym

  • Isorugosin D

Systematic Name

  • beta-D-Glucopyranose, cyclic 4-2:6-2'-((1S)-4-(6-(((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)-2,3,4-trihydroxyphenoxy)-4',5,5',6,6'-pentahydroxy(1,1'-biphenyl)-2,2'-dicarboxylate) 1,2,3-tris(3,4,5-trihydroxybenzoate)

Registry Numbers

CAS Registry Number

  • 95457-27-5

System Generated Number

  • 0095457275

Structure Descriptors

InChI

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

InChIKey

RRKSLFYXWXKOPJ-UHFFFAOYSA-N

Smiles

c1cc(c(c-2c1C(=O)OCC3C(C(C(C(O3)OC(=O)c4cc(c(c(c4Oc5cc6c(c(c5O)O)-c7c(cc(c(c7O)O)O)C(=O)OCC8C(C(C(C(O8)OC(=O)c9cc(c(c(c9O)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O)OC6=O)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O)OC(=O)c1c2c(c(c(c1)O)O)O)O)O