Sesamose

Base Information

• Chemical Name: Sesamose
• CAS No.: 58985-23-2
• Molecular Formula: C24H42O21
• DSSTox Substance ID: DTXSID90331577
• Wikidata: Q82096675
• Metabolomics Workbench ID: 68829
• Mol file: 58985-23-2.mol

Synonyms:Sesamose;C08248;58985-23-2;AC1L9B5G;DTXSID90331577;(2S,3R,4S,5R,6R)-2-[[(2R,3R,4S,5R,6S)-6-[[(2R,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydrofuran-2-yl]methoxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol;alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside

Chemical Property of Sesamose

Chemical Property:

• XLogP3: -8
• Hydrogen Bond Donor Count: 14
• Hydrogen Bond Acceptor Count: 21
• Rotatable Bond Count: 11
• Exact Mass: 666.22185834
• Heavy Atom Count: 45
• Complexity: 933

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC3C(C(C(O3)(CO)OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O)O)O)O)O)O
• Isomeric SMILES: C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)OC[C@@H]3[C@H]([C@@H]([C@](O3)(CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O)O)O)O)O)O