Schumanniofoside

Base Information

• Chemical Name: Schumanniofoside
• CAS No.: 107584-27-0
• Molecular Formula: C30H36 N O15
• Molecular Weight: 650.60454
• DSSTox Substance ID: DTXSID70910369
• Wikidata: Q82880151
• Mol file: 107584-27-0.mol

Synonyms:schumanniofoside

Chemical Property of Schumanniofoside

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 238.95000
• Density: g/cm³
• LogP: -1.44860
• XLogP3: -1.5
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 5
• Exact Mass: 650.20849444
• Heavy Atom Count: 46
• Complexity: 1310

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C4=C(C=C[N+]3(C)C)OC5=C(C4=O)C(=C6C(=C5)OC(=CC6=O)C)O)CO)O)O)O)O)O
• Isomeric SMILES: C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3C4=C(C=C[N+]3(C)C)OC5=C(C4=O)C(=C6C(=C5)OC(=CC6=O)C)O)CO)O)O)O)O)O