Ajugose

Base Information

• Chemical Name: Ajugose
• CAS No.: 512-72-1
• Molecular Formula: C36H62O31
• Molecular Weight: 990.8589
• Wikidata: Q9142974
• Metabolomics Workbench ID: 68825
• Mol file: 512-72-1.mol

Synonyms:ajugose;alpha-D-galactopyranosyl-1-6-alpha-D-galactopyranosyl-1-6-O-alpha-D-galactopyranosyl-1-6-alpha-D-galactopyranosyl-1-6-alpha-D-glucopyranosyl-1-2-beta-D-fructofuranoside;galactopyranosyl-1-6-galactopyranosyl-1-6-galactopyranosyl-1-6-galactopyranosyl-1-6-glucopyranosyl-1-2-fructofuranoside

Chemical Property of Ajugose

Chemical Property:

• Boiling Point: 1312.4°Cat760mmHg
• Flash Point: 747.5°C
• PSA: 506.13000
• Density: 1.87g/cm³
• LogP: -14.09880
• XLogP3: -12.3
• Hydrogen Bond Donor Count: 20
• Hydrogen Bond Acceptor Count: 31
• Rotatable Bond Count: 17
• Exact Mass: 990.32750517
• Heavy Atom Count: 67
• Complexity: 1530

Purity/Quality:

99%+, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC3C(C(C(C(O3)OCC4C(C(C(C(O4)OCC5C(C(C(C(O5)OC6(C(C(C(O6)CO)O)O)CO)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O
• Isomeric SMILES: C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)OC[C@@H]3[C@@H]([C@@H]([C@H]([C@H](O3)OC[C@@H]4[C@@H]([C@@H]([C@H]([C@H](O4)OC[C@@H]5[C@H]([C@@H]([C@H]([C@H](O5)O[C@]6([C@H]([C@@H]([C@H](O6)CO)O)O)CO)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O