COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL534531
Chemical Name: (8xi,14xi,17alpha,19E)-3-[(2,6-dideoxy-3-O-methylhexopyranosyl)oxy]-5,14-dihydroxy-19-[(2-hydroxyethyl)imino]card-20(22)-enolide
Smiles: OCC/N=C/[C@@]12CCC(CC2(O)CCC2[C@@H]1CC[C@]1(C2(O)CC[C@H]1C1=CC(=O)OC1)C)OC1CC(OC)C(C(O1)C)O

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Molecular Weight: 591.74
Empirical Formula: C32H49NO9

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: -0.034
Rotatable bonds: 9
H-donors: 4
H-acceptors: 9
PSA: 147
Number of rings: 6

     

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