Agavoside I

Base Information

• Chemical Name: Agavoside I
• CAS No.: 58572-17-1
• Molecular Formula: C74H122O41
• Molecular Weight: 1667.7359
• Mol file: 58572-17-1.mol

Synonyms:Agavoside I;58572-17-1

Chemical Property of Agavoside I

Chemical Property:

• Density: 1.6g/cm³
• XLogP3: -8.5
• Hydrogen Bond Donor Count: 23
• Hydrogen Bond Acceptor Count: 41
• Rotatable Bond Count: 24
• Exact Mass: 1666.7461533
• Heavy Atom Count: 115
• Complexity: 3160

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1C2C(CC3C2(C(=O)CC4C3CCC5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(C(O9)C)OC2C(C(C(C(O2)C)O)O)O)O)OC2C(C(C(C(O2)C)O)O)O)OC2C(C(C(CO2)O)O)O)O)O)O)O)C)C)OC1(CCC(C)COC1C(C(C(C(O1)CO)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](O[C@@H]([C@H]([C@H]2O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)O)O)O)O[C@H]4[C@@H]([C@H](O[C@H]([C@@H]4O[C@H]5[C@@H]([C@H]([C@@H](CO5)O)O)O)O[C@@H]6[C@H](O[C@H]([C@@H]([C@H]6O)O)O[C@H]7[C@H](O[C@H]([C@@H]([C@H]7O)O)O[C@H]8CC[C@]9([C@H](C8)CCC1C9CC(=O)[C@]2(C1CC1C2[C@@H]([C@](O1)(CC[C@@H](C)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)C)C)C)CO)CO)CO)O)C)O)O)O