COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL565142
Chemical Name: (5xi,8xi,9xi,10xi,17xi,18xi)-3-{[4-O-(beta-D-galactopyranosyl)-beta-D-glucopyranosyl]oxy}olean-12-en-28-oicacid
Smiles: OC[C@H]1O[C@@H](OC2CCC3(C(C2(C)C)CCC2(C3CC=C3[C@@]2(C)CCC2(C3CC(C)(C)CC2)C(=O)O)C)C)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O)O)O

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Saltdata: H2O
Molecular Weight: 780.99
Empirical Formula: C42H68O13

Physical State: Liquid
Available Amount: 300 mg

Lipinsky:
logP: 6.621
Rotatable bonds: 5
H-donors: 8
H-acceptors: 13
PSA: 215
Number of rings: 7

     

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