QPU

1,5-anhydro-4-O-(4,6-dideoxy-4-{[(1S,2S,3S,4R,5S,6R)-2,3,4,6-tetrahydroxy-5-methylcyclohexyl]amino}-alpha-D-glucopyranosyl)-D-glucitol


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Chemical Component Summary

Name1,5-anhydro-4-O-(4,6-dideoxy-4-{[(1S,2S,3S,4R,5S,6R)-2,3,4,6-tetrahydroxy-5-methylcyclohexyl]amino}-alpha-D-glucopyranosyl)-D-glucitol
Identifiers(1R,2S,3S,4S,5R)-4-[[(2R,3S,4S,5R,6R)-6-[(2R,3S,4R,5S)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-methyl-oxan-3-yl]amino]-6-methyl-cyclohexane-1,2,3,5-tetrol
FormulaC19 H35 N O12
Molecular Weight469.481
TypeNON-POLYMER
Isomeric SMILESCC1[C@H]([C@@H]([C@@H]([C@H]([C@@H]1O)O)O)N[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](OC[C@@H]([C@H]3O)O)CO)C)O
InChIInChI=1S/C19H35NO12/c1-5-11(23)10(15(27)16(28)12(5)24)20-9-6(2)31-19(17(29)14(9)26)32-18-8(3-21)30-4-7(22)13(18)25/h5-29H,3-4H2,1-2H3/t5-,6+,7-,8+,9+,10-,11+,12+,13+,14-,15-,16-,17+,18+,19+/m0/s1
InChIKeyNJMZSGBZXMLUCS-JMXNYNASSA-N

Chemical Details

Formal Charge0
Atom Count67
Chiral Atom Count15
Bond Count69
Aromatic Bond Count0

Related Resource References

Resource NameReference
PubChem 49867556