General Information of the Compound
| Compound ID |
CP0871301
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| Compound Name |
(2S,3S,4S,5R,6S)-6-((5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl)oxy)-5-hydroxy-2-propyltetrahydro-2H-pyran-3,4-diyl diacetate
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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 |
CCC[C@@H]1O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](OC(C)=O)[C@H]1OC(C)=O
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| InChI |
InChI=1S/C27H28O12/c1-4-5-18-24(35-12(2)28)26(36-13(3)29)22(34)27(38-18)39-25-21(33)20-17(32)10-16(31)11-19(20)37-23(25)14-6-8-15(30)9-7-14/h6-11,18,22,24,26-27,30-32,34H,4-5H2,1-3H3/t18-,22+,24-,26-,27-/m0/s1
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| InChIKey |
PRMVLMCLSDUYOK-ODHHTFEASA-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