COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL564759
Chemical Name: (5xi,6alpha,8xi,9beta,16beta,17xi,20R,24S)-25-(hexopyranosyloxy)-16-hydroxy-3-(pentopyranosyloxy)-20,24-epoxy-9,19-cyclolanostan-6-ylhexopyranoside
Smiles: OCC1OC(O[C@H]2CC3[C@]4(C)C[C@@H](C([C@@]4(C)CC[C@]43[C@@]3(C2C(C)(C)C(CC3)OC2OCC(C(C2O)O)O)C4)[C@@]2(C)CC[C@H](O2)C(OC2OC(CO)C(C(C2O)O)O)(C)C)O)C(C(C1O)O)O

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Molecular Weight: 947.12
Empirical Formula: C47H78O19

Physical State: Liquid
Available Amount: 300 mg

Lipinsky:
logP: -0.34
Rotatable bonds: 19
H-donors: 12
H-acceptors: 19
PSA: 307
Number of rings: 9

     

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