Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Rugosin E
RN: 84744-51-4
InChIKey: FJVMRJWMETUPFP-AIGHVOLPSA-N

Molecular Formula

  • C75-H54-O48

Molecular Weight

  • 1723.2
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Rugosin E

Systematic Name

  • D-Glucose, cyclic 4-2':6-2-(4-(6-(((4,6-O-((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) 2,3-bis(3,4,5-trihydroxy

Registry Numbers

CAS Registry Number

  • 84744-51-4

System Generated Number

  • 0084744514

Structure Descriptors

InChI

1S/C75H54O48/c76-14-40(116-66(104)17-1-26(77)46(90)27(78)2-17)62(119-67(105)18-3-28(79)47(91)29(80)4-18)61-38(89)15-113-71(109)24-13-39(54(98)58(102)45(24)44-22(72(110)118-61)10-35(86)52(96)57(44)101)115-60-25(12-37(88)53(97)59(60)103)74(112)123-75-65(122-69(107)20-7-32(83)49(93)33(84)8-20)64(121-68(106)19-5-30(81)48(92)31(82)6-19)63-41(117-75)16-114-70(108)21-9-34(85)50(94)55(99)42(21)43-23(73(111)120-63)11-36(87)51(95)56(43)100/h1-14,38,40-41,61-65,75,77-103H,15-16H2/t38-,40+,41-,61-,62-,63-,64+,65-,75+/m1/s1

InChIKey

FJVMRJWMETUPFP-AIGHVOLPSA-N

Smiles

c1(C(=O)O[C@@H]([C@H]2[C@@H](COC(=O)c3c(c(O)c(O)c(c3)Oc3c(C(O[C@@H]4O[C@H]5[C@H]([C@@H]([C@H]4OC(c4cc(c(c(c4)O)O)O)=O)OC(c4cc(c(c(c4)O)O)O)=O)OC(c4c(c6c(C(OC5)=O)cc(c(c6O)O)O)c(c(c(c4)O)O)O)=O)=O)cc(c(c3O)O)O)c3c(c(O)c(O)cc3C(=O)O2)O)O)[C@H](C=O)OC(=O)c2cc(c(c(O)c2)O)O)cc(c(c(c1)O)O)O