soyasapogenol E 3-O-beta-glucuronide

Base Information

• Chemical Name: soyasapogenol E 3-O-beta-glucuronide
• CAS No.: 143519-22-6
• Molecular Formula: C36H56 O9
• DSSTox Substance ID: DTXSID501150132
• Wikidata: Q27131904
• Metabolomics Workbench ID: 62210

Synonyms:soyasapogenol E 3-O-beta-glucuronide;soyasapogenol E monoglucuronide;soyasapogenol E-3-O-glucuronide;soyasapogenol E-3-O-beta-glucuronide;(3beta)-24-hydroxy-22-oxoolean-12-en-3-yl gluco-D-glucopyranosiduronic acid;CHEBI:62445;DTXSID501150132;Q27131904;beta-D-Glucopyranosiduronic acid, (3beta,4beta)-23-hydroxy-22-oxoolean-12-en-3-yl;143519-22-6

Chemical Property of soyasapogenol E 3-O-beta-glucuronide

Chemical Property:

• XLogP3: 4.7
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 632.39243336
• Heavy Atom Count: 45
• Complexity: 1260

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(=O)C1)C)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)O)O)O)C)C
• 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(CC5=O)(C)C)C)C)C)(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O

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