MUG

4-METHYLUMBELLIFERYL-ALPHA-D-GLUCOSE

Created:	1999-07-08
Last modified:	2011-06-04

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1 entries where MUG is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	42
Chiral Atom Count	5
Bond Count	44
Aromatic Bond Count	11

2D diagram of MUG

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Chemical Component Summary
Name	4-METHYLUMBELLIFERYL-ALPHA-D-GLUCOSE
Systematic Name (OpenEye OEToolkits)	4-methyl-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-2-one
Formula	C₁₆ H₁₈ O₈
Molecular Weight	338.309
Type	D-SACCHARIDE

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C2Oc3cc(OC1OC(C(O)C(O)C1O)CO)ccc3C(=C2)C
SMILES	CACTVS	3.341	CC1=CC(=O)Oc2cc(O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)ccc12
SMILES	OpenEye OEToolkits	1.5.0	CC1=CC(=O)Oc2c1ccc(c2)OC3C(C(C(C(O3)CO)O)O)O
Canonical SMILES	CACTVS	3.341	CC1=CC(=O)Oc2cc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc12
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC1=CC(=O)Oc2c1ccc(c2)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI	InChI	1.03	InChI=1S/C16H18O8/c1-7-4-12(18)23-10-5-8(2-3-9(7)10)22-16-15(21)14(20)13(19)11(6-17)24-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15-,16+/m1/s1
InChIKey	InChI	1.03	YUDPTGPSBJVHCN-JZYAIQKZSA-N

Drug Info: DrugBank

DrugBank ID	DB02639 ?
Name	7-(alpha-D-Glucopyranosyloxy)-4-methyl-2H-1-benzopyran-2-one
Groups	experimental
Synonyms	4-Methylumbelliferyl α-D-glucoside 7-(α-D-glucopyranosyloxy)-4-methyl-2H-1-benzopyran-2-one 7-(alpha-D-Glucopyranosyloxy)-4-methyl-2H-1-benzopyran-2-one 4-Methylumbelliferyl a-D-glucopyranoside
CAS number	17833-43-1

Related Resource References

Resource Name	Reference
PubChem	87330

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