COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL525687
Chemical Name: 1,4,6-trihydroxy-7-methyl-5,8-dioxo-3-[(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)thio]-5,8-dihydronaphthalen-2-yl2,3,4,6-tetra-O-acetyl-1-thio-beta-D-glucopyranoside
Smiles: CC(=O)OC[C@H]1O[C@@H](Sc2c(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(c2O)C(=O)C(=C(C3=O)C)O)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C

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Molecular Weight: 944.9
Empirical Formula: C39H44O23S2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.352
Rotatable bonds: 15
H-donors: 3
H-acceptors: 23
PSA: 374
Number of rings: 4

     

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