Name: Iso-sagittatoside A
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT213885242
Cas No:503456-08-4
常用名:Iso-sagittatoside A
IUPAC:3-{[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-4H-chromen-4-one
IUPAC:3-{[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-4H-chromen-4-one
InChI key:BFONPGKUUVPTLZ-NAYGPKAFSA-N

分子式:C33H40O15
分子量:676.668
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])cc(-[#8])c2c(=O)c1-[#8]-[#6@@H]-1-[#8]-[#6@@H](-[#6])-[#6@H](-[#8])-[#6@@H](-[#8]-[#6@@H]-2-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-2-[#8])-[#6@H]-1-[#8]
SMILES:[#6]-[#8]-c1ccc(cc1)-c1oc2c(-[#6]\[#6]=[#6](/[#6])-[#6])c(-[#8])cc(-[#8])c2c(=O)c1-[#8]-[#6@@H]-1-[#8]-[#6@@H](-[#6])-[#6@H](-[#8])-[#6@@H](-[#8]-[#6@@H]-2-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-2-[#8])-[#6@H]-1-[#8]

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