Name: Baohuoside V
Rating: 5 (10 reviews)

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HIT ID:HIT212665298
Cas No:118544-18-6
常用名:Baohuoside V
别名:宝藿苷V
IUPAC:3-{[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-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,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-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
InChI key:ABEPLDYBWOKMCT-KUBBBFTRSA-N

分子式:C38H48O19
分子量:808.783
氢键供体数 (HBD):11
氢键受体数 (HBA):19
LogP:-0.05778678
SMILES:[#6]-[#6@@H]-1-[#8]-[#6@@H](-[#8]-[#6@H]-2-[#6@H](-[#8]-c3c(oc4c(-[#6]\[#6]=[#6](/[#6])-[#6])c(-[#8]-[#6@@H]-5-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-5-[#8])cc(-[#8])c4c3=O)-c3ccc(-[#8])cc3)-[#8]-[#6@@H](-[#6])-[#6@H](-[#8])-[#6@H]-2-[#8])-[#6@H](-[#8])-[#6@H](-[#8])-[#6@H]-1-[#8]
SMILES:[#6]-[#6@@H]-1-[#8]-[#6@@H](-[#8]-[#6@H]-2-[#6@H](-[#8]-c3c(oc4c(-[#6]\[#6]=[#6](/[#6])-[#6])c(-[#8]-[#6@@H]-5-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-5-[#8])cc(-[#8])c4c3=O)-c3ccc(-[#8])cc3)-[#8]-[#6@@H](-[#6])-[#6@H](-[#8])-[#6@H]-2-[#8])-[#6@H](-[#8])-[#6@H](-[#8])-[#6@H]-1-[#8]

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