IUPAC Name :(10R)-1,8-dihydroxy-10-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]-10H-anthracen-9-one
InChI :InChI=1/C27H32O13/c1-9-19(31)22(34)25(37)27(39-9)38-8-10-5-12-16(26-24(36)23(35)20(32)15(7-28)40-26)11-3-2-4-13(29)17(11)21(33)18(12)14(30)6-10/h2-6,9,15-16,19-20,22-32,34-37H,7-8H2,1H3/t9-,15+,16+,19-,20+,22+,23-,24+,25+,26-,27+/m0/s1
Std.InChI: InChI=1S/C27H32O13/c1-9-19(31)22(34)25(37)27(39-9)38-8-10-5-12-16(26-24(36)23(35)20(32)15(7-28)40-26)11-3-2-4-13(29)17(11)21(33)18(12)14(30)6-10/h2-6,9,15-16,19-20,22-32,34-37H,7-8H2,1H3/t9-,15+,16+,19-,20+,22+,23-,24+,25+,26-,27+/m0/s1
InChIKey :BUPDVJFRVYWYEV-SGAFVUFDBV
Std.InChIKey: BUPDVJFRVYWYEV-SGAFVUFDSA-N
SMILES :C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OCC2=CC(=C3C(=C2)[C@@H](C4=C(C3=O)C(=CC=C4)O)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O
Molar Refractivity :133.67 ± 0.4 cm3 (est)
Parachor :1077.9 ± 6.0 cm3 (est)
Index of Refraction :1.736 ± 0.03
(est)
Surface Tension :110.1 ± 5.0 dyne/cm (est)
Density :1.69 ± 0.1 g/cm3 (est)
Polarizability :52.99 ± 0.5 10-24cm3 (est)