Epimedin A
HIT212524969
sdf文件结构编辑类似物检索
HIT ID: HIT212524969
Cas No: 110623-72-8
分子式: C39H50O20
分子量: 838.809
常用名: Epimedin A
氢键受体数 (HBA): 20
氢键供体数 (HBD): 11
LogP: -0.959
IUPAC: 3-{[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one
IUPAC: 3-{[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one
SMILES: [#6]-[#8]-c1ccc(cc1)-c1oc2c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8]-[#6@@H]-3-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-3-[#8])cc(-[#8])c2c(=O)c1-[#8]-[#6@@H]-1-[#8]-[#6@@H](-[#6])-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@H]-1-[#8]-[#6@@H]-1-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-1-[#8]
SMILES: [#6]-[#8]-c1ccc(cc1)-c1oc2c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8]-[#6@@H]-3-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-3-[#8])cc(-[#8])c2c(=O)c1-[#8]-[#6@@H]-1-[#8]-[#6@@H](-[#6])-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@H]-1-[#8]-[#6@@H]-1-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-1-[#8]
InChI key: SVXJDTNFJXKATR-BTXBWYRTSA-N
共显示4个结果
供应商规格单价货期纯度操作
TargetMol
SC
1731-3天 购物车
Analyticon
SC
32893-4周 购物车
Mcule
SC
6074-5周 购物车
Mcule
SC
11884-5周 购物车
TargetMol | Target Loading
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