IUPAC Name :8-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
InChI :InChI=1/C27H30O14/c1-9-19(33)21(35)23(37)27(38-9)41-26-22(36)20(34)16(8-28)40-25(26)18-13(31)6-12(30)17-14(32)7-15(39-24(17)18)10-2-4-11(29)5-3-10/h2-7,9,16,19-23,25-31,33-37H,8H2,1H3/t9-,16+,19-,20+,21+,22-,23+,25-,26+,27-/m0/s1
Std.InChI: InChI=1S/C27H30O14/c1-9-19(33)21(35)23(37)27(38-9)41-26-22(36)20(34)16(8-28)40-25(26)18-13(31)6-12(30)17-14(32)7-15(39-24(17)18)10-2-4-11(29)5-3-10/h2-7,9,16,19-23,25-31,33-37H,8H2,1H3/t9-,16+,19-,20+,21+,22-,23+,25-,26+,27-/m0/s1
InChIKey :LYGPBZVKGHHTIE-HUBYJIGHBI
Std.InChIKey: LYGPBZVKGHHTIE-HUBYJIGHSA-N
SMILES :C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H](O[C@@H]([C@H]([C@@H]2O)O)CO)c3c(cc(c4c3oc(cc4=O)c5ccc(cc5)O)O)O)O)O)O
MDL: MFCD00143627
Molar Refractivity :135.12 ± 0.4 cm3 (est)
Parachor :1084.2 ± 6.0 cm3 (est)
Index of Refraction :1.751 ± 0.03
(est)
Surface Tension :114.8 ± 5.0 dyne/cm (est)
Density :1.74 ± 0.1 g/cm3 (est)
Polarizability :53.56 ± 0.5 10-24cm3 (est)