Name: Doramectin monosaccharide
Rating: 5 (10 reviews)

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HIT ID:HIT214320752
Cas No:165108-44-1
常用名:Doramectin monosaccharide
IUPAC:(1'R,2S,4'S,5S,8'R,10'Z,12'S,13'S,14'Z,20'R,21'R,24'S)-6-cyclohexyl-21',24'-dihydroxy-12'-{[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-5,11',13',22'-tetramethyl-5,6-dihydro-3',7',19'-trioxaspiro[pyran-2,6'-tetracyclo[15.6.1.1^{4,8}.0^{20,24}]pentacosane]-10',14',16',22'-tetraen-2'-one
IUPAC:(1'R,2S,4'S,5S,8'R,10'Z,12'S,13'S,14'Z,20'R,21'R,24'S)-6-cyclohexyl-21',24'-dihydroxy-12'-{[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-5,11',13',22'-tetramethyl-5,6-dihydro-3',7',19'-trioxaspiro[pyran-2,6'-tetracyclo[15.6.1.1^{4,8}.0^{20,24}]pentacosane]-10',14',16',22'-tetraen-2'-one
InChI key:HFDCQUOZPUMCSE-KYXYBODOSA-N

分子式:C43H62O11
分子量:754.958
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12OCC3=C\C=C/[C@H](C)[C@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)\C(C)=C/C[C@]4([H])C[C@@]([H])(C[C@@]5(OC(C6CCCCC6)[C@@H](C)C=C5)O4)OC(=O)[C@]([H])(C=C(C)[C@H]1O)[C@@]23O |c:6,24,45,t:55,@@:35|
SMILES:[H][C@@]12OCC3=C\C=C/[C@H](C)[C@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)\C(C)=C/C[C@]4([H])C[C@@]([H])(C[C@@]5(OC(C6CCCCC6)[C@@H](C)C=C5)O4)OC(=O)[C@]([H])(C=C(C)[C@H]1O)[C@@]23O |c:6,24,45,t:55,@@:35|

Doramectin monosaccharide is an acid degradation product of doramectin , a disaccharide-containing anthelmintic that potentiates glutamate- and GABA-gated chloride channel opening in nematodes. Doramectin undergoes acid-catalyzed hydrolysis to form doramectin monosaccharide.

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