IUPAC Name :(2S,3R,4S,5S,6R)-2-[4-[1,3-dihydroxy-2-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]propyl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
InChI :InChI=1/C27H36O13/c1-35-17-11-15(6-7-16(17)39-27-25(34)24(33)23(32)21(13-30)40-27)22(31)20(12-29)38-26-18(36-2)9-14(5-4-8-28)10-19(26)37-3/h4-7,9-11,20-25,27-34H,8,12-13H2,1-3H3/b5-4+/t20?,21-,22?,23-,24+,25-,27-/m1/s1
Std.InChI: InChI=1S/C27H36O13/c1-35-17-11-15(6-7-16(17)39-27-25(34)24(33)23(32)21(13-30)40-27)22(31)20(12-29)38-26-18(36-2)9-14(5-4-8-28)10-19(26)37-3/h4-7,9-11,20-25,27-34H,8,12-13H2,1-3H3/b5-4+/t20?,21-,22?,23-,24+,25-,27-/m1/s1
InChIKey :XMGKCJUCYBLMBY-ONCYFVLKBB
Std.InChIKey: XMGKCJUCYBLMBY-ONCYFVLKSA-N
SMILES :COC1=CC(=CC(=C1OC(CO)C(C2=CC(=C(C=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)OC)O)OC)/C=C/CO
Molar Refractivity :142.88 ± 0.3 cm3 (est)
Parachor :1124.7 ± 4.0 cm3 (est)
Index of Refraction :1.631 ± 0.02
(est)
Surface Tension :61.9 ± 3.0 dyne/cm (est)
Density :1.418 ± 0.06 g/cm3 (est)
Polarizability :56.64 ± 0.5 10-24cm3 (est)