Name: Phellamurin
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT101887070
Cas No:52589-11-4
常用名:Phellamurin
别名:黄柏苷
IUPAC:(2R,3R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-en-1-yl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one
IUPAC:(2R,3R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-en-1-yl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one
InChI key:GRDZTDZJQRPNCN-YIANMRPHSA-N

分子式:C26H30O11
分子量:518.515
氢键供体数 (HBD):7
氢键受体数 (HBA):11
LogP:1.809
SMILES:[#6]\[#6](-[#6])=[#6]/[#6]-c1c(-[#8]-[#6@@H]-2-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-2-[#8])cc(-[#8])c2-[#6](=O)-[#6@H](-[#8])-[#6@H](-[#8]-c12)-c1ccc(-[#8])cc1
SMILES:[#6]\[#6](-[#6])=[#6]/[#6]-c1c(-[#8]-[#6@@H]-2-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-2-[#8])cc(-[#8])c2-[#6](=O)-[#6@H](-[#8])-[#6@H](-[#8]-c12)-c1ccc(-[#8])cc1

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