COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL525012
Chemical Name: (4aR,5aS,7aR)-10-methoxy-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: OC[C@H]1O[C@@H](OC2CC3C(C)(C)C(CC[C@@]43[C@]3(C2C2(C)CC5C([C@]2(CC3)C)CC(C(O5)OC)C)C4)O[C@@H]2OC[C@H]([C@@H]([C@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O

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Molecular Weight: 726.9
Empirical Formula: C38H62O13

Physical State: Dry powder
Available Amount: 70 mg

Lipinsky:
logP: 2.272
Rotatable bonds: 4
H-donors: 7
H-acceptors: 13
PSA: 196
Number of rings: 8

     

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