COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL537609
Chemical Name: (8xi,14xi,17alpha)-3-[(2,6-dideoxy-3,4-O-ethylidenehexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide
Smiles: O=C[C@@]12CCC(CC2(O)CCC2[C@@H]1CC[C@]1(C2(O)CC[C@H]1C1=CC(=O)OC1)C)OC1OC(C)C2C(C1)OC(O2)C

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Molecular Weight: 560.68
Empirical Formula: C31H44O9

Physical State: Dry powder
Available Amount: 307 mg

Lipinsky:
logP: 1.579
Rotatable bonds: 4
H-donors: 2
H-acceptors: 9
PSA: 120
Number of rings: 7

     

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