General Information of the Compound
| Compound ID |
CP0868043
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| Compound Name |
sodium-(2S,4S,5R,6R)-6-((1R,2R)-3-benzamido-1,2-dihydroxypropyl)-2-((2R,3R,4S,5S,6R)-2-((2R,3R,4R)-2-((biphenyl-4-ylmethoxy)methyl)-3-hydroxytetrahydro-2H-pyran-4-yloxy)-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yloxy)-5-(carboxyamino)-4-hydroxytetrahydro-2H-pyran-2-carboxylate
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| Structure |
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| Formula |
C42H51N2NaO18
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| Molecular Weight |
894.856
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| Canonical SMILES |
O=C(O)N[C@H]1[C@H]([C@H](O)[C@H](O)CNC(=O)c2ccccc2)O[C@@](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]3CCO[C@H](COCc4ccc(-c5ccccc5)cc4)[C@@H]3O)[C@@H]2O)(C(=O)[O-])C[C@@H]1O.[Na+]
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| InChI |
InChI=1S/C42H52N2O18.Na/c45-19-29-34(50)37(35(51)39(60-29)59-28-15-16-58-30(33(28)49)21-57-20-22-11-13-24(14-12-22)23-7-3-1-4-8-23)62-42(40(53)54)17-26(46)31(44-41(55)56)36(61-42)32(48)27(47)18-43-38(52)25-9-5-2-6-10-25;/h1-14,26-37,39,44-51H,15-21H2,(H,43,52)(H,53,54)(H,55,56);/q;+1/p-1/t26-,27+,28+,29+,30+,31+,32+,33+,34-,35+,36+,37-,39+,42-;/m0./s1
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| InChIKey |
WUEDKSVPMHRYPJ-SVMGARHNSA-M
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound