6''-caffeoylastragalin

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IUPAC Name :[6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
InChI :InChI=1/C30H26O14/c31-15-5-3-14(4-6-15)28-29(25(38)23-19(35)10-16(32)11-20(23)42-28)44-30-27(40)26(39)24(37)21(43-30)12-41-22(36)8-2-13-1-7-17(33)18(34)9-13/h1-11,21,24,26-27,30-35,37,39-40H,12H2/b8-2+
Std.InChI: InChI=1S/C30H26O14/c31-15-5-3-14(4-6-15)28-29(25(38)23-19(35)10-16(32)11-20(23)42-28)44-30-27(40)26(39)24(37)21(43-30)12-41-22(36)8-2-13-1-7-17(33)18(34)9-13/h1-11,21,24,26-27,30-35,37,39-40H,12H2/b8-2+
InChIKey :GZORMMCZSCNNCI-KRXBUXKQBZ
Std.InChIKey: GZORMMCZSCNNCI-KRXBUXKQSA-N
SMILES :C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)COC(=O)/C=C/C5=CC(=C(C=C5)O)O)O)O)O)O
Molar Refractivity :146.35 ± 0.4 cm3 (est)
Parachor :1147.7 ± 6.0 cm3 (est)
Index of Refraction :1.779 ± 0.03 (est)
Surface Tension :116.7 ± 5.0 dyne/cm (est)
Density :1.74 ± 0.1 g/cm3 (est)
Polarizability :58.01 ± 0.5 10-24cm3 (est)