COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL566308
Chemical Name: 1-O-[(5xi,9xi,13xi,17xi,18xi)-3-{[2-O-(6-deoxy-L-mannopyranosyl)-alpha-L-arabinopyranosyl]oxy}-23-hydroxy-28-oxooleanan-28-yl]-6-O-beta-L-threo-hexofuranosyl-beta-L-threo-hexofuranose
Smiles: OCC(C1O[C@@H]([C@@H]([C@H]1O)O)OCC(C1O[C@@H]([C@@H]([C@H]1O)O)OC(=O)C12CC[C@@]3(C(C2CC(CC1)(C)C)CCC1[C@@]3(C)CCC2[C@]1(C)CCC(C2(C)CO)O[C@@H]1OC[C@@H]([C@@H]([C@H]1OC1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O

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Molecular Weight: 1077.27
Empirical Formula: C53H88O22

Physical State: Liquid
Available Amount: 97 mg

Lipinsky:
logP: 5.845
Rotatable bonds: 14
H-donors: 13
H-acceptors: 22
PSA: 353
Number of rings: 9

     

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