Name: Acetyl Perisesaccharide C
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212665244
Cas No:110764-09-5
常用名:Acetyl Perisesaccharide C
别名:乙酰杠柳寡糖C, 乙酰杠柳寡糖 C
IUPAC:(2S,3R,4S,5S,6R)-5-hydroxy-4-methoxy-2-{[(2R,3R,4S,6S)-4-methoxy-6-{[(2R,3R,4S,6S)-4-methoxy-6-{[(2R,3R,4S,6S)-4-methoxy-6-{[(2R,3R,4R)-4-methoxy-2-methyl-6-oxooxan-3-yl]oxy}-2-methyloxan-3-yl]oxy}-2-methyloxan-3-yl]oxy}-2-methyloxan-3-yl]oxy}-6-methyloxan-3-yl acetate
IUPAC:(2S,3R,4S,5S,6R)-5-hydroxy-4-methoxy-2-{[(2R,3R,4S,6S)-4-methoxy-6-{[(2R,3R,4S,6S)-4-methoxy-6-{[(2R,3R,4S,6S)-4-methoxy-6-{[(2R,3R,4R)-4-methoxy-2-methyl-6-oxooxan-3-yl]oxy}-2-methyloxan-3-yl]oxy}-2-methyloxan-3-yl]oxy}-2-methyloxan-3-yl]oxy}-6-methyloxan-3-yl acetate
InChI key:XIRFSYHTNJWUET-UJEHNDPWSA-N

分子式:C37H62O18
分子量:794.885
氢键供体数 (HBD):1
氢键受体数 (HBA):16
LogP:2.4797647
SMILES:CO[C@H]1C[C@H](O[C@@H]2[C@@H](C)O[C@H](C[C@@H]2OC)O[C@@H]2[C@@H](C)OC(=O)C[C@H]2OC)O[C@H](C)[C@H]1O[C@H]1C[C@H](OC)[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](OC)[C@H]2OC(C)=O)[C@@H](C)O1
SMILES:CO[C@H]1C[C@H](O[C@@H]2[C@@H](C)O[C@H](C[C@@H]2OC)O[C@@H]2[C@@H](C)OC(=O)C[C@H]2OC)O[C@H](C)[C@H]1O[C@H]1C[C@H](OC)[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](OC)[C@H]2OC(C)=O)[C@@H](C)O1

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