Products 24915-65-9

CAS 24915-65-9 is the registry number for Avenacoside A, >=95% (LC/MS-ELSD). Offered by: Sigma-Aldrich. Available pack sizes: 1MG.

Structural formula: {0} (CAS {1})

Avenacoside A is a steroid saponin obtained from grain and leaves of oats (Avena sativa) that is nuatigenin in which the hydroxy group at position 26 is converted into its beta-D-glucoside and in which the hydroxy group at position 3 is converted into its methyl alpha-L-rhamnopyranosyl-(12)-[beta-D-glucopyranosyl-(14)]-beta-D-glucopyranoside derivative. It has a role as a metabolite. It is a beta-D-glucoside, a steroid saponin, a trisaccharide derivative, a hexacyclic triterpenoid and a spiroketal. It is functionally related to a nuatigenin.

Source: ChEBI

Identity
Molecular formulaC51H82O23
Molecular weight1063.2 g/mol
IUPAC name(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-2-[(1S,2S,4S,5'S,6S,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethyl-5'-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]spiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxolane]-16-yl]oxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
InChIKeyXNKSKPFVXMYCKU-QTPGKRPGSA-N
SMILESC[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)C)C)O[C@]19CC[C@@](O9)(C)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O

Computed by PubChem (NCBI)

Synonyms: Avenacoside A