IUPAC Name :(1S,6S,7R)-6,7-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid
InChI :InChI=1/C25H30O13/c1-25(34)16(27)8-13-14(22(32)33)9-36-23(18(13)25)38-24-21(31)20(30)19(29)15(37-24)10-35-17(28)7-4-11-2-5-12(26)6-3-11/h2-7,9,13,15-16,18-21,23-24,26-27,29-31,34H,8,10H2,1H3,(H,32,33)/b7-4+/t13?,15-,16+,18?,19-,20+,21-,23+,24+,25+/m1/s1
Std.InChI: InChI=1S/C25H30O13/c1-25(34)16(27)8-13-14(22(32)33)9-36-23(18(13)25)38-24-21(31)20(30)19(29)15(37-24)10-35-17(28)7-4-11-2-5-12(26)6-3-11/h2-7,9,13,15-16,18-21,23-24,26-27,29-31,34H,8,10H2,1H3,(H,32,33)/b7-4+/t13?,15-,16+,18?,19-,20+,21-,23+,24+,25+/m1/s1
InChIKey :QCPZTWAULZJVIK-ANNYJBKNBM
Std.InChIKey: QCPZTWAULZJVIK-ANNYJBKNSA-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
Molar Refractivity :125.94 ± 0.4 cm3 (est)
Parachor :1034.9 ± 6.0 cm3 (est)
Index of Refraction :1.676 ± 0.03
(est)
Surface Tension :91.5 ± 5.0 dyne/cm (est)
Density :1.60 ± 0.1 g/cm3 (est)
Polarizability :49.92 ± 0.5 10-24cm3 (est)