COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL524862
Chemical Name: 1,4-dioxo-1,4-dihydronaphthalen-2-yl2,3,6-tri-O-acetyl-4-O-(2,3,4,6-tetra-O-acetyl-alpha-D-glucopyranosyl)-beta-D-glucopyranoside
Smiles: CC(=O)OC[C@H]1O[C@@H](OC2=CC(=O)c3c(C2=O)cccc3)[C@@H]([C@H]([C@@H]1O[C@H]1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

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Molecular Weight: 792.7
Empirical Formula: C36H40O20

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.616
Rotatable bonds: 10
H-donors: 0
H-acceptors: 20
PSA: 255
Number of rings: 4

     

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