Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Cucumarioside A3
RN: 178209-19-3
InChIKey: XJNAUGGMPYBODO-YYADNWRZSA-L

Molecular Formula

  • C59-H92-O32-S2.2Na

Molecular Weight

  • 1421.44
 
* 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

Results Name

  • Cucumarioside A3

Synonyms

  • Cucumarioside A3-2
  • Cucumarioside A3-2 (C59)

Systematic Name

  • Lanosta-7,25-dien-18-oic acid, 20-hydroxy-3-((O-3-O-methyl-beta-D-glucopyranosyl-(1-3)-O-6-O-sulfo-beta-D-glucopyranosyl-(1-4)-O-(beta-D-xylopyranosyl-(1-2))-O-6-deoxy-beta-D-glucopyranosyl-(1-2)-4-O-sulfo-beta-D-xylopyranosyl)oxy)-16-oxo-, gamma-lactone, disodium salt, (3beta)-

Registry Numbers

CAS Registry Number

  • 178209-19-3

System Generated Number

  • 0178209193

Molecular Formulas

Molecular Formula

  • C59-H92-O32-S2.2Na

Molecular Formula Fragments

  • C59-H92-O32-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C59H92O32S2.2Na/c1-24(2)11-10-16-58(8)48-28(61)19-57(7)27-12-13-33-55(4,5)34(15-17-56(33,6)26(27)14-18-59(48,57)54(71)90-58)85-52-46(38(66)32(22-80-52)91-93(75,76)77)89-53-47(88-49-39(67)35(63)29(62)21-79-49)40(68)43(25(3)82-53)86-51-42(70)45(37(65)31(84-51)23-81-92(72,73)74)87-50-41(69)44(78-9)36(64)30(20-60)83-50;;/h12,25-26,29-53,60,62-70H,1,10-11,13-23H2,2-9H3,(H,72,73,74)(H,75,76,77);;/q;2*+1/p-2/t25-,26+,29-,30-,31-,32-,33+,34+,35+,36-,37-,38+,39-,40+,41-,42-,43-,44+,45+,46-,47-,48-,49+,50+,51+,52+,53+,56-,57+,58+,59?;;/m1../s1

InChIKey

XJNAUGGMPYBODO-YYADNWRZSA-L

Smiles

[Na+].[Na+].O(C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]1[C@H](O)[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)CO2)[C@H](O[C@H]2[C@@H](OC[C@H](OS([O-])(=O)=O)[C@@H]2O)O[C@H]2CC[C@@]3([C@H]4CC[C@@]56[C@@](C4=CC[C@@H]3C2(C)C)(C)CC([C@@H]5[C@@](OC6=O)(C)CCCC(C)=C)=O)C)O[C@@H]1C)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]([C@H]1O)OC)O)S(=O)([O-])=O