General Information of the Compound
| Compound ID |
CP0494091
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| Compound Name |
[(2R,3R)-5,7-diacetyloxy-2-(3,4,5-triacetyloxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-triacetyloxybenzoate
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| Structure |
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| Formula |
C38H34O19
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| Molecular Weight |
794.671
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| Canonical SMILES |
CC(=O)Oc1cc(OC(C)=O)c2C[C@@H](OC(=O)c3cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c3)[C@H](Oc2c1)c1cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c1
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| InChI |
InChI=1S/C38H34O19/c1-16(39)48-26-13-28(49-17(2)40)27-15-34(57-38(47)25-11-32(52-20(5)43)37(55-23(8)46)33(12-25)53-21(6)44)35(56-29(27)14-26)24-9-30(50-18(3)41)36(54-22(7)45)31(10-24)51-19(4)42/h9-14,34-35H,15H2,1-8H3/t34-,35-/m1/s1
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| InChIKey |
SVHJCTSSYQPWEV-VSJLXWSYSA-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