COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL564927
Chemical Name: (5alpha,8xi,9xi,14xi,17xi)-3-[(6-deoxy-3-O-methylhexopyranosyl)oxy]-14-hydroxy-19-oxobufa-20,22-dienolide
Smiles: COC1C(O)C(OC2CC[C@]3([C@H](C2)CCC2C3CC[C@]3(C2(O)CCC3c2ccc(=O)oc2)C)C=O)OC(C1O)C

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Molecular Weight: 560.68
Empirical Formula: C31H44O9

Physical State: Dry powder
Available Amount: 6 mg

Lipinsky:
logP: 2.881
Rotatable bonds: 7
H-donors: 3
H-acceptors: 9
PSA: 131
Number of rings: 6

     

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