IUPAC Name :3-hydroxy-3-methyl-5-oxo-5-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]pentanoic acid
InChI :InChI=1/C27H28O14/c1-27(37,9-20(31)32)10-21(33)38-11-19-23(34)24(35)25(36)26(41-19)39-14-6-15(29)22-16(30)8-17(40-18(22)7-14)12-2-4-13(28)5-3-12/h2-8,19,23-26,28-29,34-37H,9-11H2,1H3,(H,31,32)/t19-,23-,24+,25-,26-,27?/m1/s1
Std.InChI: InChI=1S/C27H28O14/c1-27(37,9-20(31)32)10-21(33)38-11-19-23(34)24(35)25(36)26(41-19)39-14-6-15(29)22-16(30)8-17(40-18(22)7-14)12-2-4-13(28)5-3-12/h2-8,19,23-26,28-29,34-37H,9-11H2,1H3,(H,31,32)/t19-,23-,24+,25-,26-,27?/m1/s1
InChIKey :WWGLAVUKYJELNJ-KJTOLNCNBZ
Std.InChIKey: WWGLAVUKYJELNJ-KJTOLNCNSA-N
SMILES :CC(CC(=O)O)(CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=CC(=C3C(=C2)OC(=CC3=O)C4=CC=C(C=C4)O)O)O)O)O)O
Molar Refractivity :134.77 ± 0.3 cm3 (est)
Parachor :1098.3 ± 6.0 cm3 (est)
Index of Refraction :1.670 ± 0.02
(est)
Surface Tension :86.2 ± 3.0 dyne/cm (est)
Density :1.599 ± 0.06 g/cm3 (est)
Polarizability :53.43 ± 0.5 10-24cm3 (est)