Arillatose B

The Arillatose B is an organic compound with the formula C₂₂H₃₀O₁₄. With the CAS registry number 137941-45-8, the systematic name of this chemical is β-D-fructofuranosyl 6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-α-D-glucopyranoside.

Physical properties about Arillatose B are: (1)ACD/LogP: 1.62; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 1.62; (4)ACD/LogD (pH 7.4): 1.62; (5)ACD/BCF (pH 5.5): 10.04; (6)ACD/BCF (pH 7.4): 10; (7)ACD/KOC (pH 5.5): 181.34; (8)ACD/KOC (pH 7.4): 180.51; (9)#H bond acceptors: 14; (10)#H bond donors: 8; (11)#Freely Rotating Bonds: 18; (12)Polar Surface Area: 137.06 Å²; (13)Index of Refraction: 1.663; (14)Molar Refractivity: 117.59 cm³; (15)Molar Volume: 317.2 cm³; (16)Polarizability: 46.61×10^-24cm³; (17)Surface Tension: 95.8 dyne/cm; (18)Density: 1.63 g/cm³; (19)Flash Point: 287.2 °C; (20)Enthalpy of Vaporization: 128.41 kJ/mol; (21)Boiling Point: 843.2 °C at 760 mmHg; (22)Vapour Pressure: 3.36E-30 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC[C@H]2O[C@H](O[C@@]1(O[C@@H]([C@@H](O)[C@@H]1O)CO)CO)[C@H](O)[C@@H](O)[C@@H]2O)\C=C\c3ccc(O)c(OC)c3
(2)InChI: InChI=1/C22H30O14/c1-32-12-6-10(2-4-11(12)25)3-5-15(26)33-8-14-16(27)18(29)19(30)21(34-14)36-22(9-24)20(31)17(28)13(7-23)35-22/h2-6,13-14,16-21,23-25,27-31H,7-9H2,1H3/b5-3+/t13-,14-,16-,17-,18+,19-,20+,21-,22+/m1/s1
(3)InChIKey: XMBZZLUIFFOAHR-YQTDNFGYBH
(4)Std. InChI: InChI=1S/C22H30O14/c1-32-12-6-10(2-4-11(12)25)3-5-15(26)33-8-14-16(27)18(29)19(30)21(34-14)36-22(9-24)20(31)17(28)13(7-23)35-22/h2-6,13-14,16-21,23-25,27-31H,7-9H2,1H3/b5-3+/t13-,14-,16-,17-,18+,19-,20+,21-,22+/m1/s1
(5)Std. InChIKey: XMBZZLUIFFOAHR-YQTDNFGYSA-N