Name: Epimedin K
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT213885247
Cas No:174286-13-6
常用名:Epimedin K
IUPAC:[(2R,3S,4S,5R,6S)-5-(acetyloxy)-6-{[(2S,3S,4S,5R,6S)-3-(acetyloxy)-5-hydroxy-6-{[5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-4-oxo-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-3-yl]oxy}-2-methyloxan-4-yl]oxy}-3,4-dihydroxyoxan-2-yl]methyl acetate
IUPAC:[(2R,3S,4S,5R,6S)-5-(acetyloxy)-6-{[(2S,3S,4S,5R,6S)-3-(acetyloxy)-5-hydroxy-6-{[5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-4-oxo-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-3-yl]oxy}-2-methyloxan-4-yl]oxy}-3,4-dihydroxyoxan-2-yl]methyl acetate
InChI key:AHIXHBMUHIBLGS-ODUQWYRWSA-N

分子式:C45H56O23
分子量:964.92
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
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](-[#6])=O)-[#6@@H](-[#8]-[#6@@H]-2-[#8]-[#6@H](-[#6]-[#8]-[#6](-[#6])=O)-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-2-[#8]-[#6](-[#6])=O)-[#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](-[#6])=O)-[#6@@H](-[#8]-[#6@@H]-2-[#8]-[#6@H](-[#6]-[#8]-[#6](-[#6])=O)-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-2-[#8]-[#6](-[#6])=O)-[#6@H]-1-[#8]

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