IUPAC Name :1-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyanthracene-9,10-dione
InChI :InChI=1/C25H26O13/c26-12-7-35-24(22(33)18(12)29)36-8-14-20(31)21(32)23(34)25(38-14)37-13-6-5-11-15(19(13)30)17(28)10-4-2-1-3-9(10)16(11)27/h1-6,12,14,18,20-26,29-34H,7-8H2/t12-,14-,18+,20-,21+,22-,23-,24+,25-/m1/s1
Std.InChI: InChI=1S/C25H26O13/c26-12-7-35-24(22(33)18(12)29)36-8-14-20(31)21(32)23(34)25(38-14)37-13-6-5-11-15(19(13)30)17(28)10-4-2-1-3-9(10)16(11)27/h1-6,12,14,18,20-26,29-34H,7-8H2/t12-,14-,18+,20-,21+,22-,23-,24+,25-/m1/s1
InChIKey :GCGGSVAWTYHZBI-CVQRFVFPBT
Std.InChIKey: GCGGSVAWTYHZBI-CVQRFVFPSA-N
SMILES :O=C4c3ccc(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c(O)c3C(=O)c5ccccc45
MDL: MFCD00017371
Molar Refractivity :123.25 ± 0.4 cm3 (est)
Parachor :995.2 ± 6.0 cm3 (est)
Index of Refraction :1.732 ± 0.03
(est)
Surface Tension :108.8 ± 5.0 dyne/cm (est)
Density :1.73 ± 0.1 g/cm3 (est)
Polarizability :48.86 ± 0.5 10-24cm3 (est)