COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK383212
Chemical Name: (3R,7R,9S)-6-{[(3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-{[(3S,4S,5R)-4-hydroxy-5-methoxy-3,5-dimethyltetrahydro-2H-pyran-2-yl]oxy}-10-
Smiles: CCC1OC(=O)[C@H](C)C(OC2OC[C@@]([C@H]([C@@H]2C)O)(C)OC)C(C)C(OC2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@@H](C(=N)C(C(C1(C)O)O)C)C)(C)O

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Molecular Weight: 732.95
Empirical Formula: C37H68N2O12

Physical State: Dry powder
Available Amount: 654 mg

Lipinsky:
logP: 1.939
Rotatable bonds: 8
H-donors: 6
H-acceptors: 12
PSA: 200
Number of rings: 3

     

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