COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL564678
Chemical Name: (5xi,6alpha,8xi,9beta,16beta,17xi,24S)-6,16,25-trihydroxy-20,24-epoxy-9,19-cyclolanostan-3-yl2-O-acetyl-beta-D-xylopyranoside
Smiles: CC(=O)O[C@H]1[C@@H](OC[C@H]([C@@H]1O)O)OC1CC[C@]23C(C1(C)C)[C@@H](O)CC1[C@@]3(C2)CC[C@]2([C@@]1(C)C[C@@H](C2[C@@]1(C)CC[C@H](O1)C(O)(C)C)O)C

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Molecular Weight: 664.88
Empirical Formula: C37H60O10

Physical State: Dry powder
Available Amount: 2 mg

Lipinsky:
logP: 3.915
Rotatable bonds: 4
H-donors: 5
H-acceptors: 10
PSA: 155
Number of rings: 7

     

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