COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL454352
Chemical Name: 6-deoxyhexopyranosyl-(1->4)hexopyranosyl-(1->6)-1-O-(3-{[2-O-(6-deoxyhexopyranosyl)pentopyranosyl]oxy}-23-hydroxy-28-oxoolean-12-en-28-yl)hexopyranose
Smiles: OCC1OC(OCC2OC(OC(=O)C34CCC(CC4C4=CCC5C(C4(CC3)C)(C)CCC3C5(C)CCC(C3(C)CO)OC3OCC(C(C3OC3OC(C)C(C(C3O)O)O)O)O)(C)C)C(C(C2O)O)O)C(C(C1OC1OC(C)C(C(C1O)O)O)O)O

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Molecular Weight: 1221.4
Empirical Formula: C59H96O26

Available Amount: 0 mg

Lipinsky:
logP: 4.521
Rotatable bonds: 29
H-donors: 15
H-acceptors: 26
PSA: 412
Number of rings: 10

     

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