COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL525478
Chemical Name: (5xi,6alpha,8xi,9beta,17xi,24S)-25-hydroxy-6-[(2,3,4,6-tetra-O-acetylhexopyranosyl)oxy]-3-[(2,3,4-tri-O-acetylpentopyranosyl)oxy]-20,24-epoxy-9,19-cyclolanostan-16-ylacetate
Smiles: CC(=O)OCC1OC(O[C@H]2CC3[C@]4([C@@]5(C2C(C)(C)C(CC5)OC2OCC(C(C2OC(=O)C)OC(=O)C)OC(=O)C)C4)CC[C@]2([C@@]3(C)CC(C2[C@]2(C)CC[C@H](O2)C(O)(C)C)OC(=O)C)C)C(C(C1OC(=O)C)OC(=O)C)OC(=O)C

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Molecular Weight: 1121.28
Empirical Formula: C57H84O22

Physical State: Dry powder
Available Amount: 52 mg

Lipinsky:
logP: 7.803
Rotatable bonds: 22
H-donors: 1
H-acceptors: 22
PSA: 276
Number of rings: 8

     

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