InChIKey | KBGKQZVCLWKUDQ-QNDFHXLGSA-N |
Inchi | 1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)31-15-5-9(23)4-14-17(15)12(26)6-13(30-14)8-1-2-10(24)11(25)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1 |
SMILES | O1[C@]([H])([C@@]([H])([C@]([H])([C@@]([H])([C@@]1([H])C([H])([H])O[H])O[H])O[H])O[H])OC1=C([H])C(=C([H])C2=C1C(C([H])=C(C1C([H])=C([H])C(=C(C=1[H])O[H])O[H])O2)=O)O[H] |
LogP | -0.24450 |
PSA | 190.28000 |
沸点 | 864.2°C at 760 mmHg |
熔点 | 260-263 ºC |
颜色与性状 | Yellow powder |
密度 | 1.713 |
精确分子量 | 448.10100 |
氢键供体数量 | 7 |
氢键受体数量 | 11 |
可旋转化学键数量 | 4 |
同位素质量 | 448.10056145 g/mol |
重原子数量 | 32 |
复杂度 | 714 |
同位素原子数量 | 0 |
确定原子立构中心数量 | 5 |
不确定原子立构中心数量 | 0 |
确定化学键立构中心数量 | 0 |
不确定化学键立构中心数量 | 0 |
共价键单元数量 | 1 |
疏水参数计算参考值(XlogP) | 0 |
拓扑分子极性表面积 | 186 |
分子量 | 448.4 |
海关编码 | 2932999099 |
海关数据 |
中国海关编码:2932999099概述:2932999099. 其他仅含氧杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0% 申报要素:品名, 成分含量, 用途 Summary:2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
1.
Screening of bioactive compounds and research of possible targets based on hollow fiber cell fishing with high performance liquid chromatography
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Biochemistry
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3.
555. The flavonoid glycosides of Dahlia variabilis. Part I. General introduction. Cyanidin, apigenin, and luteolin glycosides from the variety “ Dandy.”
C. G. Nordstr?m,T. Swain J. Chem. Soc. 1953 2764
4.
Influenza neuraminidase: A druggable target for natural products
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物理化学性质
产品用途
应用领域
化学品安全说明书(MSDS)
储运特性