IUPAC Name :[(2R,3R,4R,5R,6R)-5-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-4-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
InChI :InChI=1/C36H48O19/c1-16-26(41)28(43)30(45)36(52-16)55-33-31(46)35(49-11-10-18-5-8-22(47-2)20(38)12-18)53-24(15-51-34-29(44)27(42)21(39)14-50-34)32(33)54-25(40)9-6-17-4-7-19(37)23(13-17)48-3/h4-9,12-13,16,21,24,26-39,41-46H,10-11,14-15H2,1-3H3/b9-6+/t16-,21-,24+,26+,27-,28+,29+,30+,31+,32+,33+,34-,35+,36-/m0/s1
Std.InChI: InChI=1S/C36H48O19/c1-16-26(41)28(43)30(45)36(52-16)55-33-31(46)35(49-11-10-18-5-8-22(47-2)20(38)12-18)53-24(15-51-34-29(44)27(42)21(39)14-50-34)32(33)54-25(40)9-6-17-4-7-19(37)23(13-17)48-3/h4-9,12-13,16,21,24,26-39,41-46H,10-11,14-15H2,1-3H3/b9-6+/t16-,21-,24+,26+,27-,28+,29+,30+,31+,32+,33+,34-,35+,36-/m0/s1
InChIKey :KLQXMRBGMLHBBQ-FUNGFBQYBW
Std.InChIKey: KLQXMRBGMLHBBQ-FUNGFBQYSA-N
SMILES :O=C(O[C@H]3[C@H](O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]1O)[C@@H](O)[C@H](OCCc2ccc(OC)c(O)c2)O[C@@H]3CO[C@@H]4OC[C@H](O)[C@H](O)[C@H]4O)\C=C\c5ccc(O)c(OC)c5
MDL: MFCD09752673
Molar Refractivity :185.65 ± 0.4 cm3 (est)
Parachor :1543.9 ± 6.0 cm3 (est)
Index of Refraction :1.651 ± 0.03
(est)
Surface Tension :85.4 ± 5.0 dyne/cm (est)
Density :1.54 ± 0.1 g/cm3 (est)
Polarizability :73.59 ± 0.5 10-24cm3 (est)