Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Esculentoside Q
RN: 139163-19-2
InChIKey: DQEHJIYKDAIEDH-UHFFFAOYSA-N

Note

  • From roots of Phytolacca esculenta.

Molecular Weight

  • 975.081
 
* 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

  • Esculentoside Q

Synonym

  • 3-O-(beta-D-Glucopyranosyl(1-4)-beta-D-xylopyranosyl(1-4)-beta-D-glucopyranosyl)jaligonic acid

Registry Numbers

CAS Registry Number

  • 139163-19-2

System Generated Number

  • 0139163192

Structure Descriptors

InChI

1S/C47H74O21/c1-42(40(59)60)10-12-47(41(61)62)13-11-45(4)20(21(47)14-42)6-7-27-43(2)15-22(51)36(44(3,19-50)26(43)8-9-46(27,45)5)68-39-34(58)35(30(54)24(17-49)65-39)67-37-32(56)29(53)25(18-63-37)66-38-33(57)31(55)28(52)23(16-48)64-38/h6,21-39,48-58H,7-19H2,1-5H3,(H,59,60)(H,61,62)

InChIKey

DQEHJIYKDAIEDH-UHFFFAOYSA-N

Smiles

O[C@@H]1[C@@H]([C@@]([C@@H]2CC[C@@]3([C@@]4(C)CC[C@@]5(C(O)=O)CC[C@@](C[C@@H]5C4=CC[C@@H]3[C@@]2(C1)C)(C(O)=O)C)C)(CO)C)O[C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)CO)O)O[C@@H]1[C@@H]([C@@H]([C@@H](CO1)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O1)O)O)O