General Information of the Compound
| Compound ID |
CP0932699
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| Compound Name |
(2S,3R,4S,5R,6S)-6-((5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl)oxy)-4,5-dihydroxy-2-propyltetrahydro-2H-pyran-3-yl acetate
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| Structure |
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| Formula |
C25H26O11
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| Molecular Weight |
502.472
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| Canonical SMILES |
CCC[C@@H]1O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1OC(C)=O
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| InChI |
InChI=1S/C25H26O11/c1-3-4-16-23(33-11(2)26)20(31)21(32)25(35-16)36-24-19(30)18-15(29)9-14(28)10-17(18)34-22(24)12-5-7-13(27)8-6-12/h5-10,16,20-21,23,25,27-29,31-32H,3-4H2,1-2H3/t16-,20-,21+,23-,25-/m0/s1
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| InChIKey |
LYPFUSXIPAESSO-JRQRPHQWSA-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