IUPAC Name :(4S,5E,6S)-4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-5-ethylidene-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid
InChI :InChI=1/C24H30O13/c1-2-12-13(8-18(28)34-6-5-11-3-4-15(26)16(27)7-11)14(22(32)33)10-35-23(12)37-24-21(31)20(30)19(29)17(9-25)36-24/h2-4,7,10,13,17,19-21,23-27,29-31H,5-6,8-9H2,1H3,(H,32,33)/b12-2+/t13-,17+,19+,20-,21+,23-,24-/m0/s1
Std.InChI: InChI=1S/C24H30O13/c1-2-12-13(8-18(28)34-6-5-11-3-4-15(26)16(27)7-11)14(22(32)33)10-35-23(12)37-24-21(31)20(30)19(29)17(9-25)36-24/h2-4,7,10,13,17,19-21,23-27,29-31H,5-6,8-9H2,1H3,(H,32,33)/b12-2+/t13-,17+,19+,20-,21+,23-,24-/m0/s1
InChIKey :HKVGJQVJNQRJPO-VTDDDATNBG
Std.InChIKey: HKVGJQVJNQRJPO-VTDDDATNSA-N
SMILES :C/C=C/1\[C@@H](C(=CO[C@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)O)CC(=O)OCCC3=CC(=C(C=C3)O)O
Molar Refractivity :123.16 ± 0.4 cm3 (est)
Parachor :1026.6 ± 6.0 cm3 (est)
Index of Refraction :1.656 ± 0.03
(est)
Surface Tension :88.1 ± 5.0 dyne/cm (est)
Density :1.57 ± 0.1 g/cm3 (est)
Polarizability :48.82 ± 0.5 10-24cm3 (est)