Cappariloside A

Base Information

• Chemical Name: Cappariloside A
• CAS No.: 229483-41-4
• Molecular Formula: C16H18 N2 O6
• DSSTox Substance ID: DTXSID201228138
• Nikkaji Number: J1.108.513J
• Wikidata: Q105384265
• Mol file: 229483-41-4.mol

Synonyms:Cappariloside A;CHEBI:142256;DTXSID201228138;4-(beta-D-Glucopyranosyloxy)-1H-indole-3-acetonitrile;2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-indol-3-yl]acetonitrile;229483-41-4

Chemical Property of Cappariloside A

Chemical Property:

• XLogP3: -0.5
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 334.11648630
• Heavy Atom Count: 24
• Complexity: 482

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=CN2)CC#N
• Isomeric SMILES: C1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=CN2)CC#N