COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL525607
Chemical Name: 1,4-dihydroxy-7-methoxy-6-methyl-5,8-dioxo-3-[(2,3,4,6-tetra-O-acetyl-beta-L-glucopyranosyl)thio]-5,8-dihydronaphthalen-2-yl2,3,4,6-tetra-O-acetyl-1-thio-beta-D-glucopyranoside
Smiles: COC1=C(C)C(=O)c2c(C1=O)c(O)c(c(c2O)S[C@H]1O[C@@H](COC(=O)C)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C)S[C@@H]1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C

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Molecular Weight: 958.92
Empirical Formula: C40H46O23S2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.597
Rotatable bonds: 15
H-donors: 2
H-acceptors: 23
PSA: 363
Number of rings: 4

     

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