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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors
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7
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Hydrogen bond donors
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3
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Rotatable bonds
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10
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Topological polar surface area
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123.91
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Molecular weight
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448.17
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XLogP
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2.88
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No. Lipinski's rules broken
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0
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SMILES / InChI / InChIKey
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Canonical SMILES
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CCOC(=O)OCC1OC(Oc2ccccc2Cc2ccc(cc2)OC)C(C(C1O)O)O
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Isomeric SMILES
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CCOC(=O)OC[C@H]1O[C@@H](Oc2ccccc2Cc2ccc(cc2)OC)[C@@H]([C@H]([C@@H]1O)O)O
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InChI
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InChI=1S/C23H28O9/c1-3-29-23(27)30-13-18-19(24)20(25)21(26)22(32-18)31-17-7-5-4-6-15(17)12-14-8-10-16(28-2)11-9-14/h4-11,18-22,24-26H,3,12-13H2,1-2H3/t18-,19-,20+,21-,22-/m1/s1
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InChI Key
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QLXKHBNJTPICNF-QMCAAQAGSA-N
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