COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK057278
Chemical Name: (9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl4,6-O-[(1S)-ethylidene]-beta-D-allopyranoside
Smiles: COc1cc(cc(c1O)OC)[C@H]1C2C(=O)OCC2C(c2c1cc1OCOc1c2)O[C@@H]1O[C@@H]2CO[C@@H](O[C@H]2[C@H]([C@H]1O)O)C

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Molecular Weight: 588.57
Empirical Formula: C29H32O13

Physical State: Dry powder
Available Amount: 1010 mg

Lipinsky:
logP: 0.298
Rotatable bonds: 4
H-donors: 3
H-acceptors: 13
PSA: 160
Number of rings: 7

     

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