COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL534242
Chemical Name: (8xi,14xi,17alpha)-3-[(3,4-di-O-acetyl-2,6-dideoxyhexopyranosyl)oxy]-5,14-dihydroxy-19-nitrilocard-20(22)-enolide
Smiles: N#C[C@@]12CCC(CC2(O)CCC2[C@@H]1CC[C@]1(C2(O)CC[C@H]1C1=CC(=O)OC1)C)OC1CC(OC(=O)C)C(C(O1)C)OC(=O)C

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Molecular Weight: 615.72
Empirical Formula: C33H45NO10

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 0.925
Rotatable bonds: 8
H-donors: 2
H-acceptors: 10
PSA: 161
Number of rings: 6

     

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