Name: Perisesaccharide B
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212665794
Cas No:1095261-93-0
常用名:Perisesaccharide B
别名:杠柳寡糖B
IUPAC:(2S,3R,4S,5S,6R)-5-hydroxy-2-{[(2R,3R,4S,6S)-6-{[(2R,3S,4R,6S)-4-hydroxy-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}-4-methoxy-2-methyloxan-3-yl]oxy}-4-methoxy-6-methyloxan-3-yl acetate
IUPAC:(2S,3R,4S,5S,6R)-5-hydroxy-2-{[(2R,3R,4S,6S)-6-{[(2R,3S,4R,6S)-4-hydroxy-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}-4-methoxy-2-methyloxan-3-yl]oxy}-4-methoxy-6-methyloxan-3-yl acetate
InChI key:FIUKBOHZSAVHEV-UQWSCNRSSA-N

分子式:C36H60O18
分子量:780.858
氢键供体数 (HBD):2
氢键受体数 (HBA):16
LogP:1.8366381
SMILES:CO[C@H]1C[C@H](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](O)[C@H](O[C@H]2C[C@H](OC)[C@H](O[C@@H]3O[C@H](C)[C@H](O)[C@H](OC)[C@H]3OC(C)=O)[C@@H](C)O2)[C@@H](C)O1
SMILES:CO[C@H]1C[C@H](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](O)[C@H](O[C@H]2C[C@H](OC)[C@H](O[C@@H]3O[C@H](C)[C@H](O)[C@H](OC)[C@H]3OC(C)=O)[C@@H](C)O2)[C@@H](C)O1

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