Boussingoside E

Base Information

• Chemical Name: Boussingoside E
• CAS No.: 184095-70-3
• Molecular Formula: C₄₁H₆₂O₁₅
• Molecular Weight: 794.934
• DSSTox Substance ID: DTXSID301106503
• Nikkaji Number: J808.597H
• Wikidata: Q105345031
• Metabolomics Workbench ID: 126429
• ChEMBL ID: CHEMBL2043374
• Mol file: 184095-70-3.mol

Synonyms:Boussingoside E;CHEMBL2043374;DTXSID301106503;(3beta,4alpha)-28-(beta-D-Glucopyranosyloxy)-23-hydroxy-28-oxo-30-noroleana-12,20(29)-dien-3-yl beta-D-glucopyranosiduronic acid;184095-70-3

Chemical Property of Boussingoside E

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 8
• Exact Mass: 794.40887127
• Heavy Atom Count: 56
• Complexity: 1590

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC(C(C1CCC3(C2CC=C4C3(CCC5(C4CC(=C)CC5)C(=O)OC6C(C(C(C(O6)CO)O)O)O)C)C)(C)CO)OC7C(C(C(C(O7)C(=O)O)O)O)O
• Isomeric SMILES: C[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(=C)CC5)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)(C)CO)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O