COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK177350
Chemical Name: (5E,7E,9E,11E,13E,19E,23Z,35E)-44-[(1E,5E)-11-amino-4,8-dihydroxyundeca-1,5-dien-1-yl]-23-(but-3-en-1-yl)-16,18,30,32,34,38,40,42-octahydroxy-15,17,27-trimethyl-26-[(2,3,4,5-tetrahydroxycyclohexyl)oxy
Smiles: NCCCC(C/C=C/C(C/C=C/C1CC(O)CC(O)CC(O)C/C=C/C(O)CC(O)CC(O)CC(=O)C(C)C(C/C=C(\CC/C=C/C(C(C(C(/C=C/C=C/C=C/C=C/C=C/CCC(=O)O1)C)O)C)O)/CCC=C)OC1CC(O)C(C(C1O)O)O)O)O

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Molecular Weight: 1214.58
Empirical Formula: C67H107NO18

Available Amount: 0 mg

Lipinsky:
logP: 2.23
Rotatable bonds: 28
H-donors: 16
H-acceptors: 18
PSA: 361
Number of rings: 2

     

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