Araloside A

Base Information

• Chemical Name: Araloside A
• CAS No.: 7518-22-1
• Molecular Formula: C47H74 O18
• Molecular Weight: 927.08
• UNII: 32BF7Y358G
• DSSTox Substance ID: DTXSID801045681
• Nikkaji Number: J39.348G
• Wikipedia: Araloside_A
• Wikidata: Q15410268
• Metabolomics Workbench ID: 124450
• ChEMBL ID: CHEMBL1773982
• Mol file: 7518-22-1.mol

Synonyms:araloside A

Chemical Property of Araloside A

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 196-200℃ (decomposition)
• Boiling Point: 999.1°C at 760 mmHg
• PKA: 2.69±0.70(Predicted)
• Flash Point: 285.6°C
• PSA: 291.82000
• Density: 1.42g/cm³
• LogP: 0.87190
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 10
• Exact Mass: 926.48751551
• Heavy Atom Count: 65
• Complexity: 1830

Purity/Quality:

98%Min ^*data from raw suppliers

AralosideA ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)OC7C(C(C(O7)CO)O)O)O)O)C)C)C2C1)C)C(=O)OC8C(C(C(C(O8)CO)O)O)O)C
• Isomeric SMILES: C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)(C)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O[C@H]8[C@@H]([C@H]([C@@H](O8)CO)O)O)O)O