Name: 3-Feruloyl-1-Sinapoyl sucrose
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212665165
Cas No:98942-06-4
常用名:3-Feruloyl-1-Sinapoyl sucrose
常用名:3-Feruloyl-1-Sinapoyl sucrose
IUPAC:[(2S,3S,4R,5R)-4-hydroxy-3-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}-5-(hydroxymethyl)-2-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-2-yl]methyl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
IUPAC:[(2S,3S,4R,5R)-4-hydroxy-3-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}-5-(hydroxymethyl)-2-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-2-yl]methyl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
InChI key:LHGNBKKPEPCPCT-CCCJINOTSA-N

分子式:C33H40O18
分子量:724.665
氢键供体数 (HBD):8
氢键受体数 (HBA):16
LogP:0.45880204
SMILES:COc1cc(C=CC(=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@@]2(COC(=O)C=Cc2cc(OC)c(O)c(OC)c2)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O |w:5.4,22.22|
SMILES:COc1cc(C=CC(=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@@]2(COC(=O)C=Cc2cc(OC)c(O)c(OC)c2)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O |w:5.4,22.22|

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