IUPAC Name :3-[(2S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
InChI :InChI=1/C28H32O16/c1-9-18(33)21(36)23(38)27(40-9)44-26-22(37)19(34)16(8-29)42-28(26)43-25-20(35)17-13(32)6-11(30)7-15(17)41-24(25)10-3-4-12(31)14(5-10)39-2/h3-7,9,16,18-19,21-23,26-34,36-38H,8H2,1-2H3/t9?,16?,18-,19+,21?,22?,23-,26?,27-,28-/m0/s1
Std.InChI: InChI=1S/C28H32O16/c1-9-18(33)21(36)23(38)27(40-9)44-26-22(37)19(34)16(8-29)42-28(26)43-25-20(35)17-13(32)6-11(30)7-15(17)41-24(25)10-3-4-12(31)14(5-10)39-2/h3-7,9,16,18-19,21-23,26-34,36-38H,8H2,1-2H3/t9?,16?,18-,19+,21?,22?,23-,26?,27-,28-/m0/s1
InChIKey :QHLKSZBFIJJREC-NEGLRPTGBT
Std.InChIKey: QHLKSZBFIJJREC-NEGLRPTGSA-N
SMILES :CC1[C@@H](C([C@@H]([C@@H](O1)OC2[C@@H](OC([C@H](C2O)O)CO)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)OC)O)O)O
MDL: MFCD11042252
Molar Refractivity :143.00 ± 0.4 cm3 (est)
Parachor :1161.2 ± 6.0 cm3 (est)
Index of Refraction :1.728 ± 0.03
(est)
Surface Tension :109.5 ± 5.0 dyne/cm (est)
Density :1.74 ± 0.1 g/cm3 (est)
Polarizability :56.69 ± 0.5 10-24cm3 (est)