General Information of the Compound
| Compound ID |
CP0865943
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| Compound Name |
(2S,3R,4R,5S,6S)-2-((5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl)oxy)-6-propyltetrahydro-2H-pyran-3,4,5-triyl triacetate
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| Structure |
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| Formula |
C29H30O13
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| Molecular Weight |
586.546
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| Canonical SMILES |
CCC[C@@H]1O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O
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| InChI |
InChI=1S/C29H30O13/c1-5-6-20-25(37-13(2)30)27(38-14(3)31)28(39-15(4)32)29(41-20)42-26-23(36)22-19(35)11-18(34)12-21(22)40-24(26)16-7-9-17(33)10-8-16/h7-12,20,25,27-29,33-35H,5-6H2,1-4H3/t20-,25-,27+,28+,29-/m0/s1
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| InChIKey |
HDCQFGSWWKAJHS-UDKWMEDXSA-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