Ligustroflavone

The Ligustroflavone, with the CAS registry number 260413-62-5, is also known as Nuezhenoside. This chemical's molecular formula is C₃₃H₄₀O₁₈ and molecular weight is 724.66. What's more, its systematic name is 5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 6-deoxy-α-L-mannopyranosyl-(1->2)-[6-deoxy-α-L-mannopyranosyl-(1->6)]-β-D-glucopyranoside.

Physical properties about Ligustroflavone: (1)ACD/LogP: -0.907; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -1.00; (4)ACD/LogD (pH 7.4): -2.22; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 6.13; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 18; (10)#H bond donors: 10; (11)#Freely Rotating Bonds: 18; (12)Polar Surface Area: 283.98 Å²; (13)Index of Refraction: 1.714; (14)Molar Refractivity: 167.521 cm³; (15)Molar Volume: 426.917 cm³; (16)Polarizability: 66.41×10^-24cm³; (17)Surface Tension: 104.457000732422 dyne/cm; (18)Density: 1.697 g/cm³; (19)Flash Point: 325.19 °C; (20)Enthalpy of Vaporization: 157.447 kJ/mol; (21)Boiling Point: 1028.469 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C\5c6c(O)cc(O[C@@H]3O[C@H](CO[C@@H]1O[C@H]([C@H](O)[C@@H](O)[C@H]1O)C)[C@@H](O)[C@H](O)[C@H]3O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)cc6O/C(c4ccc(O)cc4)=C/5
(2) InChI: InChI=1S/C33H40O18/c1-11-22(37)25(40)28(43)31(46-11)45-10-20-24(39)27(42)30(51-32-29(44)26(41)23(38)12(2)47-32)33(50-20)48-15-7-16(35)21-17(36)9-18(49-19(21)8-15)13-3-5-14(34)6-4-13/h3-9,11-12,20,22-35,37-44H,10H2,1-2H3/t11-,12-,20+,22-,23-,24+,25+,26+,27-,28+,29+,30+,31+,32-,33+/m0/s1
(3) InChIKey: NULBHTHMVOCGOE-ZBCCAYPVSA-N