COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL558153
Chemical Name: (2S,12Z,14Z,16S,17S,18R,19S,20S,21S,22R,23S,24Z)-21-(acetyloxy)-17,19-dihydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,6,9,11-tetraoxo-1,2,6,9-tetrahydro-2,7-(epoxypentadeca[1,11,13]trienoimino)n
Smiles: CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C2=O)c2C(=O)C=C(C(=O)c2c(c3C)OC(=O)c2ccco2)NC(=O)/C(=C\C=C/[C@@H]([C@@H]([C@H]([C@@H]([C@@H]([C@@H]([C@@H]1C)OC(=O)C)C)O)C)O)C)/C

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Molecular Weight: 789.83
Empirical Formula: C42H47NO14

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.739
Rotatable bonds: 4
H-donors: 3
H-acceptors: 14
PSA: 214
Number of rings: 6

     

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