COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL033878
Chemical Name: 7,8,18,28,29,35,55,56,58-nonahydroxy-30,54-bis(hydroxymethyl)-13,18,37,41,48,48,53,54-octamethyl-57-[(3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy]-3,5,10,12,15,21,24,26,31,33-decaoxadecacyclo[39.9.3.
Smiles: OCC1OC2OC3C(O)CC4(C(C3(C)CO)CCC3(C4CC=C4C3(C)CCC3(C4CC(C)(C)CC3)C(=O)OC3OCC(C(C3OC3OC(C(OC(=O)CC(CC(=O)OC4COC(OC2C(C1O)O)C(O)C4O)(C)O)C(OC1OCC(C(C1O)O)O)C3O)C)O)O)C)C

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Molecular Weight: 1319.45
Empirical Formula: C63H98O29

Physical State: Dry powder
Available Amount: 1009 mg

Lipinsky:
logP: 5.837
Rotatable bonds: 18
H-donors: 14
H-acceptors: 29
PSA: 445
Number of rings: 12

     

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