Tigonin

Base Information

• Chemical Name: Tigonin
• CAS No.: 1329-83-5
• Molecular Formula: C56H92O27
• Molecular Weight: 1197.3135
• European Community (EC) Number: 215-529-4
• UNII: ZDI4CQ2J8T
• Wikidata: Q27108443
• Metabolomics Workbench ID: 199578
• Mol file: 1329-83-5.mol

Synonyms:Tigonin;UNII-ZDI4CQ2J8T;ZDI4CQ2J8T;1329-83-5;EINECS 215-529-4;TIGONIN [MI];C08915;CHEBI:9596;Q27108443

Chemical Property of Tigonin

Chemical Property:

• Refractive Index: 1.645
• Density: 1.54g/cm³
• XLogP3: -2
• Hydrogen Bond Donor Count: 15
• Hydrogen Bond Acceptor Count: 27
• Rotatable Bond Count: 14
• Exact Mass: 1196.58259765
• Heavy Atom Count: 83
• Complexity: 2160

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)O)O)OC2C(C(C(C(O2)CO)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)C)C)C)OC1
• Isomeric SMILES: C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)C)C)C)OC1