COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL529059
Chemical Name: (3'E,5'S,6'R,7'S,8'R,9'R,10'R,11'S,12'S,13'E,15'Z)-25'-ethoxy-9',11',23'-trihydroxy-5'-methoxy-6',8',10',12',16',24'-hexamethyl-1',4,17',26'-tetraoxo-5',6',7',8',9',10',11',12',17',18'-decahydro-1'H-s
Smiles: CCOc1c(C)c(O)c2c3c1C(=O)O/C=C/[C@H](OC)[C@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)NC(=CC13OCC(=O)O1)C2=O)/C)C)O

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Molecular Weight: 755.82
Empirical Formula: C39H49NO14

Physical State: Dry powder
Available Amount: 1 mg

Lipinsky:
logP: 2.358
Rotatable bonds: 4
H-donors: 4
H-acceptors: 14
PSA: 213
Number of rings: 5

     

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