Hexandraside A

Base Information

• Chemical Name: Hexandraside A
• CAS No.: 128988-53-4
• Molecular Formula: C₃₉H₅₀O₂₀
• Molecular Weight: 838.814
• Nikkaji Number: J294.496K
• Wikidata: Q105181585
• Mol file: 128988-53-4.mol

Synonyms:anhydroicaritin 3-galactosyl(1-3)rhamnoside-7-glucoside;hexandraside A

Chemical Property of Hexandraside A

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1112.3°Cat760mmHg
• Flash Point: 337.1°C
• PSA: 317.35000
• Density: 1.61g/cm³
• LogP: -2.10790
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 11
• Hydrogen Bond Acceptor Count: 20
• Rotatable Bond Count: 12
• Exact Mass: 838.28954398
• Heavy Atom Count: 59
• Complexity: 1470

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OC2=C(OC3=C(C2=O)C(=CC(=C3CC=C(C)C)OC4C(C(C(C(O4)CO)O)O)O)O)C5=CC=C(C=C5)OC)O)OC6C(C(C(C(O6)CO)O)O)O)O
• Isomeric SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=C(C2=O)C(=CC(=C3CC=C(C)C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)C5=CC=C(C=C5)OC)O)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)O