COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK801967
Chemical Name: (2R,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-8-formyl-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-
Smiles: CO[C@H]1/C=C/O[C@]2(C)Oc3c(C2=O)c2c(O)c(C=O)c(c(c2c(c3C)O)O)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: 725.79
Empirical Formula: C38H47NO13

Physical State: Dry powder
Available Amount: 1004 mg

Lipinsky:
logP: 2.848
Rotatable bonds: 5
H-donors: 6
H-acceptors: 13
PSA: 218
Number of rings: 5

     

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