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CHEBI:91024 - astragaloside I

ChEBI IDCHEBI:91024
ChEBI Nameastragaloside I
Stars
DefinitionA triterpenoid saponin that is cycloastragenol glycosylated at positions 3 and 6 by 2,3-di-O-acetyl-β-D-xylosyl and β-D-glucosyl residues respectively.
Last Modified28 January 2016
SubmitterSteve
DownloadsMolfile
FormulaC45H72O16
Net Charge0
Average Mass869.055
Monoisotopic Mass868.48204
SMILES[H][C@@]12C[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@]3([H])C(C)(C)[C@@H](O[C@@H]4OC[C@@H](O)[C@H](OC(C)=O)[C@H]4OC(C)=O)CC[C@@]34C[C@@]14CC[C@@]1(C)[C@@]2(C)C[C@H](O)[C@]1([H])[C@@]1(C)CC[C@@H](C(C)(C)O)O1
InChIInChI=1S/C45H72O16/c1-21(47)56-33-24(50)19-55-38(34(33)57-22(2)48)60-28-11-13-45-20-44(45)15-14-41(7)35(43(9)12-10-29(61-43)40(5,6)54)23(49)17-42(41,8)27(44)16-25(36(45)39(28,3)4)58-37-32(53)31(52)30(51)26(18-46)59-37/h23-38,46,49-54H,10-20H2,1-9H3/t23-,24+,25-,26+,27-,28-,29-,30+,31-,32+,33-,34+,35-,36-,37+,38-,41+,42-,43+,44-,45+/m0/s1
InChIKeyKXHCYYSIAXMSPA-OOCCOBHWSA-N
Species of MetaboliteComponentSourceComments
Astragalus mongholicus (ncbitaxon:119829) - MetaboLights (MTBLS189)
Astragalus membranaceus (ncbitaxon:649199) - PubMed (25068786)
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
astragaloside I (CHEBI:91024) has functional parent cycloastragenol (CHEBI:71314)
astragaloside I (CHEBI:91024) has role plant metabolite (CHEBI:76924)
astragaloside I (CHEBI:91024) is a monosaccharide derivative (CHEBI:63367)
astragaloside I (CHEBI:91024) is a oxolanes (CHEBI:26912)
astragaloside I (CHEBI:91024) is a pentacyclic triterpenoid (CHEBI:25872)
astragaloside I (CHEBI:91024) is a triterpenoid saponin (CHEBI:61778)
astragaloside I (CHEBI:91024) is a β-D-glucoside (CHEBI:22798)
IUPAC Name 
(3β,6α,9β,16β,20R,24S)-3-[(2,3-di-O-acetyl-β-D-xylopyranosyl)oxy]-16,25-dihydroxy-20,24-epoxy-9,19-cyclolanostan-6-yl β-D-glucopyranoside
Synonym  Source
Astrasieversianin IVChemIDplus
Manual XrefsDatabases
C17797KEGG COMPOUND
C00050007KNApSAcK
Registry NumbersSources
Reaxys:5722877Reaxys
CAS:91739-00-3ChemIDplus
CAS:84680-75-1KNApSAcK
Citations