COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL526817
Chemical Name: benzyl3-O-acetyl-2-(acetylamino)-2-deoxy-6-O-[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-alpha-D-galactopyranoside
Smiles: CC(=O)OC[C@H]1O[C@@H](OC[C@H]2O[C@H](OCc3ccccc3)[C@@H]([C@H]([C@H]2O)OC(=O)C)NC(=O)C)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)NC(=O)C

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Molecular Weight: 682.68
Empirical Formula: C31H42N2O15

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 1.22
Rotatable bonds: 7
H-donors: 3
H-acceptors: 15
PSA: 220
Number of rings: 3

     

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