bacopaside II

Base Information

• Chemical Name: bacopaside II
• CAS No.: 382146-66-9
• Molecular Formula: C47H76O18
• Molecular Weight: 929.099
• UNII: ZO6L404Y9T
• DSSTox Substance ID: DTXSID201347350
• Nikkaji Number: J1.673.952I
• Wikidata: Q27295806
• Mol file: 382146-66-9.mol

Synonyms:3-O-alpha-L-arabinofuranosyl-(1-2)-(beta-D-glucopyranosyl (1-3))-beta-D-glucopyranosyl pseudo-jujubogenin;bacopaside II

Chemical Property of bacopaside II

Chemical Property:

• PKA: 12.78±0.70(Predicted)
• PSA: 276.14000
• Density: 1.43
• LogP: -0.17580
• Storage Temp.: 2-8°C
• XLogP3: 2
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 10
• Exact Mass: 928.50316557
• Heavy Atom Count: 65
• Complexity: 1770

Purity/Quality:

purity 50%min, ^*data from raw suppliers

Bacopaside II phyproof? Reference Substance ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CC1COC23CC4(CO2)C(C3C1(C)O)CCC5C4(CCC6C5(CCC(C6(C)C)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(O9)CO)O)O)C)C)C
• Isomeric SMILES: CC(=C[C@@H]1CO[C@]23C[C@]4(CO2)[C@@H]([C@H]3[C@@]1(C)O)CC[C@H]5[C@]4(CC[C@@H]6[C@@]5(CC[C@@H](C6(C)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H](O9)CO)O)O)C)C)C