COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK801860
Chemical Name: 3-hydroxy-4-[(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]-5-methoxyphenyl6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
Smiles: COc1cc(O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@@H]([C@H]([C@H]3O)O)O)[C@H]([C@@H]([C@H]2O)O)O)cc(c1C(=O)/C=C/c1ccc(c(c1)O)OC)O

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Molecular Weight: 624.6
Empirical Formula: C29H36O15

Available Amount: 0 mg

Lipinsky:
logP: 1.859
Rotatable bonds: 9
H-donors: 8
H-acceptors: 15
PSA: 234
Number of rings: 4

     

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