COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL540248
Chemical Name: 2,3,6-tri-O-acetyl-4-O-(2,3,4,6-tetra-O-acetyl-alpha-D-glucopyranosyl)-1-thio-beta-D-glucopyranose
Smiles: CC(=O)OC[C@H]1O[C@@H](S)[C@@H]([C@H]([C@@H]1O[C@H]1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

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Molecular Weight: 652.63
Empirical Formula: C26H36O17S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.156
Rotatable bonds: 9
H-donors: 0
H-acceptors: 17
PSA: 250
Number of rings: 2

     

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