COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK801622
Chemical Name: 3-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-4-oxo-4H-chromen-7-ylbeta-D-glucopyranoside
Smiles: COc1ccc(cc1)c1oc2c(CC=C(C)C)c(O[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O)cc(c2c(=O)c1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O

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Molecular Weight: 676.67
Empirical Formula: C33H40O15

Physical State: Dry powder
Available Amount: 1001 mg

Lipinsky:
logP: 2.479
Rotatable bonds: 6
H-donors: 8
H-acceptors: 15
PSA: 234
Number of rings: 5

     

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