Name: Sagittatoside C
Rating: 5 (10 reviews)

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HIT ID:HIT212665870
Cas No:118525-37-4
常用名:Sagittatoside C
别名:箭藿苷C, 箭藿苷 C
IUPAC:(2S,3R,4R,5S,6S)-2-{[5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-4-oxo-4H-chromen-3-yl]oxy}-5-hydroxy-6-methyl-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-4-yl acetate
IUPAC:(2S,3R,4R,5S,6S)-2-{[5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-4-oxo-4H-chromen-3-yl]oxy}-5-hydroxy-6-methyl-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-4-yl acetate
InChI key:QGVUYZAEBBWPRU-RTHLAZLQSA-N

分子式:C35H42O16
分子量:718.705
氢键供体数 (HBD):7
氢键受体数 (HBA):15
LogP:1.7503908
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](-[#6])=O)-[#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])cc(-[#8])c2c(=O)c1-[#8]-[#6@@H]-1-[#8]-[#6@@H](-[#6])-[#6@H](-[#8])-[#6@@H](-[#8]-[#6](-[#6])=O)-[#6@H]-1-[#8]-[#6@@H]-1-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-1-[#8]

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