COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL524655
Chemical Name: (8xi,9xi,14xi,17xi)-11-(acetyloxy)-5,14-dihydroxy-3-[(2,3,4-tri-O-acetyl-6-deoxy-alpha-L-mannopyranosyl)oxy]card-20(22)-enolide
Smiles: CC(=O)OC1C[C@]2(C)C(CCC2(C2C1[C@@]1(C)CCC(CC1(CC2)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C)O)C1=CC(=O)OC1

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Molecular Weight: 720.81
Empirical Formula: C37H52O14

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 2.347
Rotatable bonds: 9
H-donors: 2
H-acceptors: 14
PSA: 190
Number of rings: 6

     

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