COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL525633
Chemical Name: (5xi,6alpha,8xi,9beta,17xi,24S)-3-{[3,4-di-O-acetyl-2-O-(2,3,4-tri-O-acetylpentopyranosyl)pentopyranosyl]oxy}-25-hydroxy-6-[(2,3,4-tri-O-acetylpentopyranosyl)oxy]-20,24-epoxy-9,19-cyclolanostan-16-yl
Smiles: CC(=O)OC1COC(C(C1OC(=O)C)OC1OCC(C(C1OC(=O)C)OC(=O)C)OC(=O)C)OC1CC[C@]23C(C1(C)C)[C@@H](OC1OCC(C(C1OC(=O)C)OC(=O)C)OC(=O)C)CC1[C@@]3(C2)CC[C@]2([C@@]1(C)CC(C2[C@]1(C)CC[C@H](O1)C(O)(C)C)OC(=O)C)C

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Molecular Weight: 1265.41
Empirical Formula: C63H92O26

Physical State: Dry powder
Available Amount: 57 mg

Lipinsky:
logP: 8.073
Rotatable bonds: 25
H-donors: 1
H-acceptors: 26
PSA: 321
Number of rings: 9

     

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