Chemical Properties of Scopoletin .beta.-D-glucopyranoside, TFA

Scopoletin .beta.-D-glucopyranoside, TFA

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InChI
InChI=1S/C24H14F12O13/c1-42-9-4-7-2-3-12(37)44-8(7)5-10(9)45-16-15(49-20(41)24(34,35)36)14(48-19(40)23(31,32)33)13(47-18(39)22(28,29)30)11(46-16)6-43-17(38)21(25,26)27/h2-5,11,13-16H,6H2,1H3/t11-,13-,14+,15-,16-/m1/s1
InChI Key
LCASGYIODNQINV-YMILTQATSA-N
Formula
C24H14F12O13
SMILES
COc1cc2ccc(=O)oc2cc1OC1OC(COC(=O)C(F)(F)F)C(OC(=O)C(F)(F)F)C(OC(=O)C(F)(F)F)C1OC(=O)C(F)(F)F
Molecular Weight1
738.34
Sources

Physical Properties

Property Value Unit Source
logPoct/wat 3.43 Crippen Calculated Property

Similar Compounds

7-Hydroxy-2-oxo-2h-chromen-6-yl hexopyranoside. Vanillin, .beta.-D-glucopyranoside, TFA. Eugenol, .beta.-D-glucopyranoside, TFA. Rutin. Flavone-3-rutinoside, 3,3',4',5,7-pentahydroxy. Methyl salicylate, Gly, TFA. Pentosyl «beta»-D-glucopyranoside of methyl salicylate, isomer # 1, TFA. Pentosyl «beta»-D-glucopyranoside of methyl salicylate, isomer # 2, TFA. Methyl salicylate, Rut, TFA. Nalmefene, bis(trifluoroacetate). AJMALINE, M(NOR-), AC. Cyanocobalamin. Heptafluorobutyryl-codeine. 3-O,6-O,N-Triacetylnormorphine. Naloxone, bis(trimethylsilyl) ether.

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