COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK007500
Chemical Name: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl4-O-(6-deoxy-beta-D-gulopyranosyl)-beta-D-galactopyranoside
Smiles: OC[C@H]1O[C@@H](Oc2c(oc3c(c2=O)c(O)cc(c3)O)c2ccc(c(c2)O)O)[C@@H]([C@H]([C@H]1O[C@@H]1O[C@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O

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Molecular Weight: 610.53
Empirical Formula: C27H30O16

Physical State: Dry powder
Available Amount: 2 mg

Lipinsky:
logP: 2.372
Rotatable bonds: 7
H-donors: 10
H-acceptors: 16
PSA: 265
Number of rings: 5

     

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