InChIKey | OHOBPOYHROOXEI-JWMUNMLDSA-N |
Inchi | InChI=1S/C27H30O15/c1-9-17(32)20(35)22(37)26(38-9)42-25-21(36)18(33)15(8-28)40-27(25)41-24-19(34)16-13(31)6-12(30)7-14(16)39-23(24)10-2-4-11(29)5-3-10/h2-7,9,15,17-18,20-22,25-33,35-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,22+,25+,26-,27-/m0/s1 |
SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@@H](CO)O[C@H]2OC3=C(C4=CC=C(C=C4)O)OC5=CC(=CC(=C5C3=O)O)O)O)O)O)O)O |
LogP | -1.39270 |
PSA | 249.20000 |
熔点 | 197-200°C |
颜色与性状 | Yellow powder |
精确分子量 | 594.15800 |
氢键供体数量 | 9 |
氢键受体数量 | 15 |
可旋转化学键数量 | 6 |
同位素质量 | 594.15847025 g/mol |
重原子数量 | 42 |
复杂度 | 985 |
同位素原子数量 | 0 |
确定原子立构中心数量 | 0 |
不确定原子立构中心数量 | 10 |
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) | -0.4 |
拓扑分子极性表面积 | 245Ų |
分子量 | 594.5 |
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