COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL030105
Chemical Name: 5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-L-glucopyranoside
Smiles: OC[C@@H]1O[C@H](Oc2cc(O)c3c(c2)oc(cc3=O)c2ccc(cc2)O)[C@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O

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Saltdata: H2O
Molecular Weight: 578.53
Empirical Formula: C27H30O14

Physical State: Dry powder
Available Amount: 1467 mg

Lipinsky:
logP: 1.717
Rotatable bonds: 4
H-donors: 8
H-acceptors: 14
PSA: 225
Number of rings: 5

     

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