4H-1-Benzopyran-4-one, 3-[(O-6-deoxy-α-L-mannopyranosyl-(1→6)-O-[β-D-glucopyranosyl-(1→4)]-β-D-glucopyranosyl)oxy]-5-hydroxy-7-[[3-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]-2-(4-hydroxyphenyl)-

4H-1-Benzopyran-4-one, 3-[(O-6-deoxy-α-L-mannopyranosyl-(1→6)-O-[β-D-glucopyranosyl-(1→4)]-β-D-glucopyranosyl)oxy]-5-hydroxy-7-[[3-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]-2-(4-hydroxyphenyl)- 基本信息
CAS号 1374330-92-3 分子式 C49H58O28
分子量 1094.97 精确质量  1094.31147
PSA  439 A2 LogP  1.748±1.368

基本信息 展开↓

CAS号:
1374330-92-3
3D弹球模型:
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分子式:
C49H58O28
分子量:
1094.97
英文名称:
4H-1-Benzopyran-4-one, 3-[(O-6-deoxy-α-L-mannopyranosyl-(1→6)-O-[β-D-glucopyranosyl-(1→4)]-β-D-glucopyranosyl)oxy]-5-hydroxy-7-[[3-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]-2-(4-hydroxyphenyl)-
英文别名:
4H-1-Benzopyran-4-one, 3-[(O-6-deoxy-α-L-mannopyranosyl-(1→6)-O-[β-D-glucopyranosyl-(1→4)]-β-D-glucopyranosyl)oxy]-5-hydroxy-7-[[3-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]-2-(4-hydroxyphenyl)-;
kaempferol 3-O-β-D-glucopyranosyl(1->4)-[α-L-rhamnopyranosyl(1->6)]-β-D-glucopyranoside-7-O-[3-O-(E)-coumaroyl]-β-D-glucopyranoside;
kaempferol 3-O-beta-D-glucopyranosyl(1->4)-[alpha-L-rhamnopyranosyl(1->6)]-beta-D-glucopyranoside-7-O-[3-O-(E)-coumaroyl]-beta-D-glucopyranoside
精确分子量/精确质量:
1094.31147
极性分子表面积/PSA:
439 A2
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
InChI:
The Key: JXQYWEIQLBCXKG-KYUAALMXSA-N

物化性质展开↓

密度:
1.74±0.1 g/cm3
沸点:
1340.2±65.0 °C
闪点:
384.1±27.8 °C
水溶解性:
Sparingly Soluble (1.8E-4 g/L)
蒸汽密度:
0 Torr

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