General Information of the Compound
| Compound ID |
CP0685149
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| Compound Name |
1,1'-((2S,3S,4S,5R,6S)-6-(5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yloxy)-5-hydroxy-2-methyltetrahydro-2H-pyran-3,4-diyl)bis(oxy)dipropan-2-one
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| Structure |
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| Formula |
C27H28O12
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| Molecular Weight |
544.509
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| Canonical SMILES |
CC(=O)CO[C@@H]1[C@@H](OCC(C)=O)[C@@H](O)[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)O[C@H]1C
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| InChI |
InChI=1S/C27H28O12/c1-12(28)10-35-23-14(3)37-27(22(34)25(23)36-11-13(2)29)39-26-21(33)20-18(32)8-17(31)9-19(20)38-24(26)15-4-6-16(30)7-5-15/h4-9,14,22-23,25,27,30-32,34H,10-11H2,1-3H3/t14-,22+,23-,25-,27-/m0/s1
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| InChIKey |
FQHKVYKQSXUXQF-RFVSBOAQSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound