3-​Feruloyl-​1-​Sinapoyl sucrose
HIT212665165
sdf文件结构编辑类似物检索
HIT ID: HIT212665165
Cas No: 98942-06-4
分子式: C33H40O18
分子量: 724.665
常用名: 3-​Feruloyl-​1-​Sinapoyl sucrose
常用名: 3-​Feruloyl-​1-​Sinapoyl sucrose
氢键受体数 (HBA): 16
氢键供体数 (HBD): 8
LogP: 0.45880204
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
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|
InChI key: LHGNBKKPEPCPCT-CCCJINOTSA-N
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Mcule
SC
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