COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL453210
Chemical Name: 5,5'-bis(hexopyranosyloxy)-4,4'-dihydroxy-10,10'-dioxo-9,9',10,10'-tetrahydro-9,9'-bianthracene-2,2'-dicarboxylicacid
Smiles: OCC1OC(Oc2cccc3c2C(=O)c2c(C3C3c4cc(cc(c4C(=O)c4c3cccc4OC3OC(CO)C(C(C3O)O)O)O)C(=O)O)cc(cc2O)C(=O)O)C(C(C1O)O)O

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Molecular Weight: 862.75
Empirical Formula: C42H38O20

Available Amount: 0 mg

Lipinsky:
logP: 1.882
Rotatable bonds: 21
H-donors: 12
H-acceptors: 20
PSA: 347
Number of rings: 8

     

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