COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL445703
Chemical Name: (19E,21E,25E,27E,29E,31E)-33-[(3-amino-3,6-dideoxyhexopyranosyl)oxy]-1,3,4,7,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,25,27,29,31-hexaene-36-carbo
Smiles: OC1CCC(O)C(O)CC2(O)CC(O)C(C(O2)CC(/C=C/C=C/C=C/C=C/CC/C=C/C=C/C(C(C(C(OC(=O)CC(CC(C1)O)O)C)C)O)C)OC1OC(C)C(C(C1O)N)O)C(=O)O

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Molecular Weight: 926.11
Empirical Formula: C47H75NO17

Physical State: Dry powder
Available Amount: 656 mg

Lipinsky:
logP: 1.811
Rotatable bonds: 14
H-donors: 13
H-acceptors: 17
PSA: 319
Number of rings: 3

     

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