COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL564689
Chemical Name: 4-((3S,5R,8R,9S,10S,13R,14S,17R)-3-(((2R,4S,5S,6R)-5-(((2S,4S,5S,6R)-5-(((2S,4S,5S,6R)-4,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-6-m
Smiles: O=C1OCC(=C1)[C@H]1CC[C@]2([C@]1(C)CC[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@@H](C2)O[C@H]1CC(O)[C@H](C(O1)C)O[C@H]1CC(O)[C@H](C(O1)C)O[C@H]1CC(O)[C@H](C(O1)C)O)O

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Molecular Weight: 764.95
Empirical Formula: C41H64O13

Physical State: Liquid
Available Amount: 278 mg

Lipinsky:
logP: 2.437
Rotatable bonds: 9
H-donors: 5
H-acceptors: 13
PSA: 182
Number of rings: 8

     

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