IUPAC Name :2,2-bis[2,5-dihydroxy-3-[(E)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-enylidene]-4,6-dioxo-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohexen-1-yl]acetic acid
InChI :InChI=1/C44H44O24/c45-13-21-28(51)32(55)34(57)40(67-21)43(65)36(59)23(19(49)11-5-15-1-7-17(47)8-2-15)30(53)26(38(43)61)25(42(63)64)27-31(54)24(20(50)12-6-16-3-9-18(48)10-4-16)37(60)44(66,39(27)62)41-35(58)33(56)29(52)22(14-46)68-41/h1-12,21-22,25,28-29,32-35,40-41,45-58,65-66H,13-14H2,(H,63,64)/b11-5+,12-6+,23-19?,24-20?/t21-,22-,25?,28-,29-,32+,33+,34-,35-,40-,41-,43?,44?/m1/s1
Std.InChI: InChI=1S/C44H44O24/c45-13-21-28(51)32(55)34(57)40(67-21)43(65)36(59)23(19(49)11-5-15-1-7-17(47)8-2-15)30(53)26(38(43)61)25(42(63)64)27-31(54)24(20(50)12-6-16-3-9-18(48)10-4-16)37(60)44(66,39(27)62)41-35(58)33(56)29(52)22(14-46)68-41/h1-12,21-22,25,28-29,32-35,40-41,45-58,65-66H,13-14H2,(H,63,64)/b11-5+,12-6+,23-19?,24-20?/t21-,22-,25?,28-,29-,32+,33+,34-,35-,40-,41-,43?,44?/m1/s1
InChIKey :CQFVYCZSZSAVQY-FYGOYKIRBB
Std.InChIKey: CQFVYCZSZSAVQY-FYGOYKIRSA-N
SMILES :C1=CC(=CC=C1/C=C/C(=C2C(=O)C(C(=O)C(=C2O)C(C(=O)O)C3=C(C(=C(O)/C=C/C4=CC=C(C=C4)O)C(=O)C(C3=O)(O)[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)CO)O)(O)[C@@H]6O[C@@H]([C@H]([C@@H]([C@H]6O)O)O)CO)O)O
Molar Refractivity :223.61 ± 0.3 cm3 (est)
Parachor :1759.9 ± 6.0 cm3 (est)
Index of Refraction :1.835 ± 0.02
(est)
Surface Tension :145.4 ± 3.0 dyne/cm (est)
Density :1.888 ± 0.06 g/cm3 (est)
Polarizability :88.64 ± 0.5 10-24cm3 (est)