IUPAC Name :(1S,6S,7R)-1-[(2S,3R,4S,5S,6R)-6-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6,7-dihydroxy-7-methyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid
InChI :InChI=1/C25H30O14/c1-25(35)16(28)7-11-12(22(33)34)8-37-23(18(11)25)39-24-21(32)20(31)19(30)15(38-24)9-36-17(29)5-3-10-2-4-13(26)14(27)6-10/h2-6,8,11,15-16,18-21,23-24,26-28,30-32,35H,7,9H2,1H3,(H,33,34)/b5-3+/t11?,15-,16+,18?,19-,20+,21-,23+,24+,25+/m1/s1
Std.InChI: InChI=1S/C25H30O14/c1-25(35)16(28)7-11-12(22(33)34)8-37-23(18(11)25)39-24-21(32)20(31)19(30)15(38-24)9-36-17(29)5-3-10-2-4-13(26)14(27)6-10/h2-6,8,11,15-16,18-21,23-24,26-28,30-32,35H,7,9H2,1H3,(H,33,34)/b5-3+/t11?,15-,16+,18?,19-,20+,21-,23+,24+,25+/m1/s1
InChIKey :YHZBVXGYEGLXCQ-JFEGOXIEBC
Std.InChIKey: YHZBVXGYEGLXCQ-JFEGOXIESA-N
SMILES :C[C@@]1([C@H](CC2C1[C@@H](OC=C2C(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)/C=C/C4=CC(=C(C=C4)O)O)O)O)O)O)O
Molar Refractivity :127.47 ± 0.4 cm3 (est)
Parachor :1050.1 ± 6.0 cm3 (est)
Index of Refraction :1.695 ± 0.03
(est)
Surface Tension :100.9 ± 5.0 dyne/cm (est)
Density :1.67 ± 0.1 g/cm3 (est)
Polarizability :50.53 ± 0.5 10-24cm3 (est)