Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Acanthaglycoside A
RN: 84821-12-5
InChIKey: OPKRVEZVLGSKRN-UHFFFAOYSA-N

Molecular Formula

  • C56-H90-O27-S.Na

Molecular Weight

  • 1250.36
 
* 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

  • Acanthaglycoside A

Synonym

  • Acanthaglycoside A

Systematic Name

  • Cholesta-9(11),24-dien-23-one, 6-((O-6-deoxy-beta-D-galactopyranosyl-(1-2)-O-6-deoxy-beta-D-glucopyranosyl-(1-4)-O-(6-deoxy-beta-D-glucopyranosyl-(1-2))-O-beta-D-xylopyranosyl-(1-3)-6-deoxy-beta-D-glucopyranosyl)oxy)-20-hydroxy-3-(sulfooxy)-, monosodium salt, (3beta,5alpha,6alpha,20xi)-

Registry Numbers

CAS Registry Number

  • 84821-12-5

System Generated Number

  • 0084821125

Molecular Formulas

Molecular Formula

  • C56-H90-O27-S.Na

Molecular Formula Fragments

  • C56-H90-O27-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C56H90O27S.Na/c1-21(2)16-26(57)19-56(9,69)34-11-10-29-28-18-32(31-17-27(83-84(70,71)72)12-14-54(31,7)30(28)13-15-55(29,34)8)78-51-45(68)46(38(61)25(6)76-51)80-52-47(81-49-43(66)40(63)35(58)22(3)74-49)39(62)33(20-73-52)79-53-48(42(65)37(60)24(5)77-53)82-50-44(67)41(64)36(59)23(4)75-50;/h13,16,22-25,27-29,31-53,58-69H,10-12,14-15,17-20H2,1-9H3,(H,70,71,72);/q;+1

InChIKey

OPKRVEZVLGSKRN-UHFFFAOYSA-N

Smiles

O1[C@@H]([C@@H]([C@@H]([C@@H]([C@@H]1O[C@@H]1[C@@H](O[C@@H]([C@@H]([C@@H]1O)O)C)O[C@@H]1[C@@H]([C@@H](O[C@@H]2[C@@H]([C@@H]([C@@H]([C@@H](O2)C)O)O)O)[C@@H](OC1)O[C@@H]1[C@@H]([C@@H](O[C@@H]([C@@H]1O)C)O[C@@H]1[C@@H]2[C@@](C=3[C@@H](C1)[C@@H]1CC[C@@H]([C@@]1(C)CC3)[C@@](C)(O)CC(\C=C(\C)C)=O)(CC[C@@H](C2)OS(O)(=O)=O)C)O)O)O)O)O)C.[Na+]