COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL553394
Chemical Name: (4aS,5aR,7aR)-10-ethoxy-1,1,7a,9,12a-pentamethyl-2-(beta-D-xylopyranosyloxy)octadecahydrocyclopropa[1',8a']naphtho[2',1':4,5]indeno[2,1-b]pyran-13-ylbeta-D-glucopyranoside
Smiles: CCOC1OC2CC3([C@](C2CC1C)(C)CCC12C3C(O[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O)CC3[C@@]2(C1)CCC(C3(C)C)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)C

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Molecular Weight: 740.93
Empirical Formula: C39H64O13

Physical State: Dry powder
Available Amount: 62 mg

Lipinsky:
logP: 2.804
Rotatable bonds: 5
H-donors: 7
H-acceptors: 13
PSA: 196
Number of rings: 8

     

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