COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL525336
Chemical Name: 1,4-dioxo-3-[(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)thio]-1,4-dihydronaphthalen-2-yl2,3,4,6-tetra-O-acetyl-1-thio-beta-D-glucopyranoside
Smiles: CC(=O)OC[C@H]1O[C@@H](SC2=C(S[C@@H]3O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]3OC(=O)C)OC(=O)C)OC(=O)C)C(=O)c3c(C2=O)cccc3)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C

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Molecular Weight: 882.87
Empirical Formula: C38H42O20S2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 6.74
Rotatable bonds: 12
H-donors: 0
H-acceptors: 20
PSA: 313
Number of rings: 4

     

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