COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL564715
Chemical Name: (5xi,6alpha,8xi,9beta,16beta,17xi,24S)-16,25-dihydroxy-3-(pentopyranosyloxy)-20,24-epoxy-9,19-cyclolanostan-6-ylhexopyranoside
Smiles: OCC1OC(O[C@H]2CC3[C@]4([C@@]5(C2C(C)(C)C(CC5)OC2OCC(C(C2O)O)O)C4)CC[C@]2([C@@]3(C)C[C@@H](C2[C@@]2(C)CC[C@H](O2)C(O)(C)C)O)C)C(C(C1O)O)O

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Molecular Weight: 784.98
Empirical Formula: C41H68O14

Physical State: Liquid
Available Amount: 300 mg

Lipinsky:
logP: 1.957
Rotatable bonds: 13
H-donors: 9
H-acceptors: 14
PSA: 228
Number of rings: 8

     

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