COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL030405
Chemical Name: (3beta,5beta,9xi)-3,5,14-trihydroxy-19-oxocard-20(22)-enolide
Smiles: O=C[C@@]12CC[C@@H](C[C@@]2(O)CC[C@@H]2C1CC[C@]1([C@]2(O)CC[C@@H]1C1=CC(=O)OC1)C)O

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Molecular Weight: 404.5
Empirical Formula: C23H32O6

Physical State: Dry powder
Available Amount: 1002 mg

Lipinsky:
logP: 0.154
Rotatable bonds: 0
H-donors: 3
H-acceptors: 6
PSA: 104
Number of rings: 5

     

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