Name: Yadanzioside E
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214320427
Cas No:95258-20-1
常用名:Yadanzioside E
别名:鸦胆甙 E
IUPAC:methyl (1R,2S,3R,6R,8S,11S,12S,13S,14R,15R,16S,17S)-12,15,16-trihydroxy-9,13-dimethyl-3-[(3-methylbut-2-enoyl)oxy]-4-oxo-11-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,18-dioxapentacyclo[12.5.0.0^{1,6}.0^{2,17}.0^{8,13}]nonadec-9-ene-17-carboxylate
IUPAC:methyl (1R,2S,3R,6R,8S,11S,12S,13S,14R,15R,16S,17S)-12,15,16-trihydroxy-9,13-dimethyl-3-[(3-methylbut-2-enoyl)oxy]-4-oxo-11-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,18-dioxapentacyclo[12.5.0.0^{1,6}.0^{2,17}.0^{8,13}]nonadec-9-ene-17-carboxylate
InChI key:IZUDZNKPPXKFJY-DXMXMRDXSA-N

分子式:C32H44O16
分子量:684.688
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12[#6@@H](-[#8]-[#6](=O)\[#6]=[#6](\[#6])-[#6])-[#6](=O)-[#8][C@]3([H])[#6][C@@]4([H])[#6](-[#6])=[#6]-[#6@H](-[#8]-[#6@@H]-5-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-5-[#8])-[#6@@H](-[#8])[C@]4([#6])[C@@]4([H])[#6@@H](-[#8])-[#6@H](-[#8])[C@]1([#8]-[#6][C@@]234)[#6](=O)-[#8]-[#6] |c:19|
SMILES:[H][C@]12[#6@@H](-[#8]-[#6](=O)\[#6]=[#6](\[#6])-[#6])-[#6](=O)-[#8][C@]3([H])[#6][C@@]4([H])[#6](-[#6])=[#6]-[#6@H](-[#8]-[#6@@H]-5-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-5-[#8])-[#6@@H](-[#8])[C@]4([#6])[C@@]4([H])[#6@@H](-[#8])-[#6@H](-[#8])[C@]1([#8]-[#6][C@@]234)[#6](=O)-[#8]-[#6] |c:19|

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