COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL564495
Chemical Name: (10S,13R,17S)-5,14-dihydroxy-3-(((2R,4S,5S,6R)-4-hydroxy-6-methyl-5-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-13-methyl-17-(5-oxo-2,5-dihydrofuran-3-yl
Smiles: O=C[C@@]12CCC(CC2(O)CCC2C1CC[C@]1(C2(O)CC[C@H]1C1=CC(=O)OC1)C)O[C@H]1CC(O)[C@H](C(O1)C)O[C@@H]1OC[C@@H](C(C1O)O)O

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Molecular Weight: 666.76
Empirical Formula: C34H50O13

Physical State: Liquid
Available Amount: 300 mg

Lipinsky:
logP: -0.137
Rotatable bonds: 10
H-donors: 6
H-acceptors: 13
PSA: 201
Number of rings: 7

     

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