COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL527446
Chemical Name: (8xi,14xi,17alpha,19E)-3-[(2,6-dideoxyhexopyranosyl)oxy]-5,14-dihydroxy-19-{[2-(4-hydroxyphenyl)ethyl]imino}card-20(22)-enolide
Smiles: O=C1OCC(=C1)[C@@H]1CCC2([C@]1(C)CC[C@H]1C2CCC2([C@]1(/C=N/CCc1ccc(cc1)O)CCC(C2)OC1CC(O)C(C(O1)C)O)O)O

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Molecular Weight: 653.81
Empirical Formula: C37H51NO9

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 1.691
Rotatable bonds: 9
H-donors: 5
H-acceptors: 9
PSA: 158
Number of rings: 7

     

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