IUPAC Name :9-(1,3-benzodioxol-5-yl)-4-[(2S,3R,4S,5R)-3,4-dimethoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6,7-dimethoxy-3H-benzo[f][2]benzofuran-1-one
InChI :InChI=1/C34H38O16/c1-40-19-8-15-16(9-20(19)41-2)29(17-11-44-32(39)25(17)24(15)14-5-6-18-21(7-14)47-13-46-18)50-34-31(43-4)30(42-3)23(12-45-34)49-33-28(38)27(37)26(36)22(10-35)48-33/h5-9,22-23,26-28,30-31,33-38H,10-13H2,1-4H3/t22-,23-,26-,27+,28-,30+,31-,33+,34+/m1/s1
Std.InChI: InChI=1S/C34H38O16/c1-40-19-8-15-16(9-20(19)41-2)29(17-11-44-32(39)25(17)24(15)14-5-6-18-21(7-14)47-13-46-18)50-34-31(43-4)30(42-3)23(12-45-34)49-33-28(38)27(37)26(36)22(10-35)48-33/h5-9,22-23,26-28,30-31,33-38H,10-13H2,1-4H3/t22-,23-,26-,27+,28-,30+,31-,33+,34+/m1/s1
InChIKey :DDUSFSKGAHCYFG-LXOHQACABU
Std.InChIKey: DDUSFSKGAHCYFG-LXOHQACASA-N
SMILES :CO[C@H]1[C@@H](CO[C@H]([C@@H]1OC)OC2=C3COC(=O)C3=C(C4=CC(=C(C=C42)OC)OC)C5=CC6=C(C=C5)OCO6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O
Molar Refractivity :169.37 ± 0.4 cm3 (est)
Parachor :1351.7 ± 6.0 cm3 (est)
Index of Refraction :1.669 ± 0.03
(est)
Surface Tension :78.8 ± 5.0 dyne/cm (est)
Density :1.54 ± 0.1 g/cm3 (est)
Polarizability :67.14 ± 0.5 10-24cm3 (est)