COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL565347
Chemical Name: (5alpha,8xi,9xi,14xi,16xi,17xi)-spirostan-3-yl6-deoxy-alpha-L-mannopyranosyl-(1->2)-[6-deoxy-beta-D-mannopyranosyl-(1->4)]-beta-D-glucopyranoside
Smiles: OC[C@H]1O[C@@H](OC2CC[C@]3([C@H](C2)CCC2C3CC[C@]3(C2CC2C3[C@H](C)[C@]3(O2)CCC(CO3)C)C)C)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@H](C)[C@H]([C@@H]([C@@H]1O)O)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O

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Molecular Weight: 871.07
Empirical Formula: C45H74O16

Physical State: Liquid
Available Amount: 55 mg

Lipinsky:
logP: 7.551
Rotatable bonds: 2
H-donors: 8
H-acceptors: 16
PSA: 235
Number of rings: 9

     

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