IUPAC Name :(10R)-1-hydroxy-3-methyl-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10H-anthracen-9-one
InChI :InChI=1/C27H32O13/c1-9-5-11-16(26-24(36)22(34)19(31)14(7-28)38-26)10-3-2-4-13(18(10)21(33)17(11)12(30)6-9)39-27-25(37)23(35)20(32)15(8-29)40-27/h2-6,14-16,19-20,22-32,34-37H,7-8H2,1H3/t14-,15-,16-,19-,20-,22+,23+,24-,25-,26+,27-/m1/s1
Std.InChI: InChI=1S/C27H32O13/c1-9-5-11-16(26-24(36)22(34)19(31)14(7-28)38-26)10-3-2-4-13(18(10)21(33)17(11)12(30)6-9)39-27-25(37)23(35)20(32)15(8-29)40-27/h2-6,14-16,19-20,22-32,34-37H,7-8H2,1H3/t14-,15-,16-,19-,20-,22+,23+,24-,25-,26+,27-/m1/s1
InChIKey :GQPFUOPPYJYZHE-OPEXUXIQBA
Std.InChIKey: GQPFUOPPYJYZHE-OPEXUXIQSA-N
SMILES :CC1=CC(=C2C(=C1)[C@@H](C3=C(C2=O)C(=CC=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O
Molar Refractivity :134.65 ± 0.3 cm3 (est)
Parachor :1077.9 ± 6.0 cm3 (est)
Index of Refraction :1.708 ± 0.02
(est)
Surface Tension :95.2 ± 3.0 dyne/cm (est)
Density :1.636 ± 0.06 g/cm3 (est)
Polarizability :53.38 ± 0.5 10-24cm3 (est)