IUPAC Name :(10S)-1,6-dihydroxy-3-methyl-10-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10H-anthracen-9-one
InChI :InChI=1/C27H32O14/c1-8-2-10-16(26-24(37)22(35)19(32)14(6-28)39-26)11-4-9(30)5-13(18(11)21(34)17(10)12(31)3-8)40-27-25(38)23(36)20(33)15(7-29)41-27/h2-5,14-16,19-20,22-33,35-38H,6-7H2,1H3/t14-,15-,16+,19-,20-,22+,23+,24-,25-,26+,27-/m1/s1
Std.InChI: InChI=1S/C27H32O14/c1-8-2-10-16(26-24(37)22(35)19(32)14(6-28)39-26)11-4-9(30)5-13(18(11)21(34)17(10)12(31)3-8)40-27-25(38)23(36)20(33)15(7-29)41-27/h2-5,14-16,19-20,22-33,35-38H,6-7H2,1H3/t14-,15-,16+,19-,20-,22+,23+,24-,25-,26+,27-/m1/s1
InChIKey :VICGNLNFFZAFLT-ZHVWOXMGBI
Std.InChIKey: VICGNLNFFZAFLT-ZHVWOXMGSA-N
SMILES :CC1=CC(=C2C(=C1)[C@@H](C3=CC(=CC(=C3C2=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O
Molar Refractivity :136.54 ± 0.3 cm3 (est)
Parachor :1093.2 ± 6.0 cm3 (est)
Index of Refraction :1.726 ± 0.02
(est)
Surface Tension :102.6 ± 3.0 dyne/cm (est)
Density :1.690 ± 0.06 g/cm3 (est)
Polarizability :54.12 ± 0.5 10-24cm3 (est)