COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL565738
Chemical Name: (5alpha,8xi,14xi,17alpha)-3-[(2,4-di-O-acetyl-6-deoxy-3-O-methylhexopyranosyl)oxy]-14-hydroxy-19-oxobufa-20,22-dienolide
Smiles: COC1C(OC(=O)C)C(OC2CC[C@]3([C@H](C2)CCC2[C@@H]3CC[C@]3(C2(O)CC[C@H]3c2ccc(=O)oc2)C)C=O)OC(C1OC(=O)C)C

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Molecular Weight: 644.76
Empirical Formula: C35H48O11

Physical State: Liquid
Available Amount: 300 mg

Lipinsky:
logP: 3.864
Rotatable bonds: 8
H-donors: 1
H-acceptors: 11
PSA: 143
Number of rings: 6

     

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