COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL033521
Chemical Name: (2S)-2-(3,4-dimethoxyphenyl)-5-hydroxy-4-oxo-3,4-dihydro-2H-chromen-7-yl6-O-(6-deoxy-alpha-L-glucopyranosyl)-beta-D-glucopyranoside
Smiles: COc1ccc(cc1OC)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O

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Molecular Weight: 624.6
Empirical Formula: C29H36O15

Physical State: Dry powder
Available Amount: 1488 mg

Lipinsky:
logP: 2.545
Rotatable bonds: 5
H-donors: 7
H-acceptors: 15
PSA: 223
Number of rings: 5

     

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