Name: IKarisoside A
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212525240
Cas No:55395-07-8
常用名:IKarisoside A
别名:大花淫羊藿苷 A, Icarisoside-, Baohuoside II
IUPAC:5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-en-1-yl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-4H-chromen-4-one
IUPAC:5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-en-1-yl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-4H-chromen-4-one
InChI key:RPLMLWBOUPDPQF-GULSFEPBSA-N

分子式:C26H28O10
分子量:500.5
氢键供体数 (HBD):6
氢键受体数 (HBA):10
LogP:2.934
SMILES:[#6]-[#6@@H]-1-[#8]-[#6@@H](-[#8]-c2c(oc3c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc(-[#8])c3c2=O)-c2ccc(-[#8])cc2)-[#6@H](-[#8])-[#6@H](-[#8])-[#6@H]-1-[#8]
SMILES:[#6]-[#6@@H]-1-[#8]-[#6@@H](-[#8]-c2c(oc3c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc(-[#8])c3c2=O)-c2ccc(-[#8])cc2)-[#6@H](-[#8])-[#6@H](-[#8])-[#6@H]-1-[#8]

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