IUPAC Name :methyl (2S,4S)-4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-3-ethenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate
InChI :InChI=1/C25H32O13/c1-3-13-14(9-19(29)35-7-6-12-4-5-16(27)17(28)8-12)15(23(33)34-2)11-36-24(13)38-25-22(32)21(31)20(30)18(10-26)37-25/h3-5,8,11,13-14,18,20-22,24-28,30-32H,1,6-7,9-10H2,2H3/t13?,14-,18+,20+,21-,22+,24-,25-/m0/s1
Std.InChI: InChI=1S/C25H32O13/c1-3-13-14(9-19(29)35-7-6-12-4-5-16(27)17(28)8-12)15(23(33)34-2)11-36-24(13)38-25-22(32)21(31)20(30)18(10-26)37-25/h3-5,8,11,13-14,18,20-22,24-28,30-32H,1,6-7,9-10H2,2H3/t13?,14-,18+,20+,21-,22+,24-,25-/m0/s1
InChIKey :WWKVQWHAWPZZDB-MMCPGMSHBN
Std.InChIKey: WWKVQWHAWPZZDB-MMCPGMSHSA-N
SMILES :COC(=O)C1=CO[C@H](C([C@@H]1CC(=O)OCCC2=CC(=C(C=C2)O)O)C=C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
Molar Refractivity :128.06 ± 0.4 cm3 (est)
Parachor :1073.2 ± 6.0 cm3 (est)
Index of Refraction :1.624 ± 0.03
(est)
Surface Tension :76.7 ± 5.0 dyne/cm (est)
Density :1.49 ± 0.1 g/cm3 (est)
Polarizability :50.76 ± 0.5 10-24cm3 (est)