COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL564687
Chemical Name: 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-(((2R,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-((((2S,3R,4S,5S)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one
Smiles: O[C@H]1C(CO[C@@H]2OC[C@@H](C(C2O)O)O)O[C@@](C(C1O)O)(O)Oc1cc(O)c2c(c1)oc(cc2=O)c1ccc(c(c1)O)O

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Molecular Weight: 596.5
Empirical Formula: C26H28O16

Physical State: Liquid
Available Amount: 221 mg

Lipinsky:
logP: 1.656
Rotatable bonds: 16
H-donors: 10
H-acceptors: 16
PSA: 265
Number of rings: 5

     

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