COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL564449
Chemical Name: (4alpha,5xi,7alpha,8xi,10xi,12xi,13xi,15alpha,17xi,22xi)-4,7,14,16,20-pentahydroxy-15-[(2-methylbutanoyl)oxy]-4,9-epoxycevan-3-yl2,3-dihydroxy-2-methylbutanoate
Smiles: CCC(C(=O)O[C@H]1C(O)C2C(C3[C@]1(O)C1[C@H](O)CC4C5([C@]1(C3)O[C@]4(O)C(CC5)OC(=O)C(C(O)C)(O)C)C)CN1C([C@@]2(C)O)CC[C@@H](C1)C)C

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Molecular Weight: 709.88
Empirical Formula: C37H59NO12

Physical State: Liquid
Available Amount: 55 mg

Lipinsky:
logP: -0.006
Rotatable bonds: 12
H-donors: 7
H-acceptors: 12
PSA: 206
Number of rings: 7

     

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