COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL524594
Chemical Name: 4-{5-(acetyloxy)-4-oxo-7-[(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)oxy]-4H-chromen-2-yl}benzene-1,2-diyldiacetate
Smiles: CC(=O)OC[C@H]1O[C@@H](Oc2cc(OC(=O)C)c3c(c2)oc(cc3=O)c2ccc(c(c2)OC(=O)C)OC(=O)C)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C

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Molecular Weight: 742.64
Empirical Formula: C35H34O18

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 2.032
Rotatable bonds: 13
H-donors: 0
H-acceptors: 18
PSA: 228
Number of rings: 4

     

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