COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL566217
Chemical Name: [(1aR,2S,3aS,5S,5aR)-1a-(hexopyranosyloxy)-5-hydroxy-2-methyltetrahydro-1H-2,5-methano-3,4-dioxacyclobuta[cd]pentalen-5b(3aH)-yl]methylbenzoate
Smiles: OCC1OC(O[C@@]23C[C@H]4C3(COC(=O)c3ccccc3)C3O[C@@]2(C)C[C@@]4(O3)O)C(C(C1O)O)O

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Molecular Weight: 480.47
Empirical Formula: C23H28O11

Physical State: Liquid
Available Amount: 50 mg

Lipinsky:
logP: 0.161
Rotatable bonds: 10
H-donors: 5
H-acceptors: 11
PSA: 164
Number of rings: 6

     

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