MDL | MFCD27665407 |
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InChIKey | UKAWYWGUNZUQQR-UHFFFAOYSA-N |
Inchi | 1S/C50H86O41S2/c51-9-16-36-23(57)29(63)45(78-16)86-38-18(11-53)80-47(31(65)25(38)59)88-40-20(13-55)82-49(33(67)27(40)61)90-42-22(15-76-5-1-3-7-92(70,71)72)84-50(43(35(42)69)77-6-2-4-8-93(73,74)75)91-41-21(14-56)83-48(34(68)28(41)62)89-39-19(12-54)81-46(32(66)26(39)60)87-37-17(10-52)79-44(85-36)30(64)24(37)58/h16-69H,1-15H2,(H,70,71,72)(H,73,74,75) |
SMILES | S(C([H])([H])C([H])([H])C([H])([H])C([H])([H])OC1([H])C2([H])OC([H])(C([H])([H])OC([H])([H])C([H])([H])C([H])([H])C([H])([H])S(=O)(=O)O[H])C([H])(C1([H])O[H])OC1([H])C([H])(C([H])(C([H])(C([H])(C([H])([H])O[H])O1)OC1([H])C([H])(C([H])(C([H])(C([H])(C([H])([H])O[H])O1)OC1([H])C([H])(C([H])(C([H])(C([H])(C([H])([H])O[H])O1)OC1([H])C([H])(C([H])(C([H])(C([H])(C([H])([H])O[H])O1)OC1([H])C([H])(C([H])(C([H])(C([H])(C([H])([H])O[H])O1)OC1([H])C([H])(C([H])(C([H])(C([H])(C([H])([H])O[H])O1)O2)O[H])O[H])O[H])O[H])O[H])O[H])O[H])O[H])O[H])O[H])O[H])O[H])(=O)(=O)O[H] |
LogP | -14.50310 |
---|---|
PSA | 637.03000 |
精确分子量 | 1288.40000 |
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氢键供体数量 | 21 |
氢键受体数量 | 41 |
可旋转化学键数量 | 19 |
重原子数量 | 93 |
复杂度 | 2490 |
拓扑分子极性表面积 | 658 |