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CHEBI:2897 - astragaloside III

ChEBI IDCHEBI:2897
ChEBI Nameastragaloside III
Stars
DefinitionA triterpenoid saponin that is cycloastragenol with a 2-O-β-D-glucopyranosyl-β-D-xylopyranosyl moiety attached at position 3 via a glycosidic linkage.
Last Modified28 January 2016
DownloadsMolfile
FormulaC41H68O14
Net Charge0
Average Mass784.981
Monoisotopic Mass784.46091
SMILES[H][C@@]12C[C@H](O)[C@@]3([H])C(C)(C)[C@@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)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/C41H68O14/c1-35(2)24(53-34-30(26(46)21(45)17-51-34)54-33-29(49)28(48)27(47)22(16-42)52-33)9-11-41-18-40(41)13-12-37(5)32(39(7)10-8-25(55-39)36(3,4)50)20(44)15-38(37,6)23(40)14-19(43)31(35)41/h19-34,42-50H,8-18H2,1-7H3/t19-,20-,21+,22+,23-,24-,25-,26-,27+,28-,29+,30+,31-,32-,33-,34-,37+,38-,39+,40-,41+/m0/s1
InChIKeyFVFSMBDVZVUETN-BQAOMNQWSA-N
Roles Classification
Biological Role:
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 III (CHEBI:2897) has functional parent cycloastragenol (CHEBI:71314)
astragaloside III (CHEBI:2897) is a disaccharide derivative (CHEBI:63353)
astragaloside III (CHEBI:2897) is a triterpenoid saponin (CHEBI:61778)
IUPAC Name 
(3β,6α,9β,16β,20R,24S)-6,16,25-trihydroxy-20,24-epoxy-9,19-cyclolanostan-3-yl 2-O-β-D-glucopyranosyl-β-D-xylopyranoside
Manual XrefsDatabases
C08924KEGG COMPOUND
C00003500KNApSAcK
Registry NumbersSources
Reaxys:5697310Reaxys
CAS:84687-42-3KEGG COMPOUND
Citations