Linarin

The CAS register number of Linarin is 480-36-4. It also can be called as 7-((6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(4-methoxyphenyl)-4H-benzopyran-4-one and the IUPAC name about this chemical is 5-hydroxy-2-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one. The molecular formula about this chemical is C₂₈H₃₂O₁₄ and the molecular weight is 592.54. It belongs to the Tri-substituted Flavones.

Physical properties about Linarin are: (1)ACD/LogP: 2.10; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 0.78; (5)ACD/BCF (pH 5.5): 18.53; (6)ACD/BCF (pH 7.4): 1.12; (7)ACD/KOC (pH 5.5): 263.88; (8)ACD/KOC (pH 7.4): 15.93; (9)#H bond acceptors: 14; (10)#H bond donors: 7; (11)#Freely Rotating Bonds: 14; (12)Polar Surface Area: 137.06Ų; (13)Index of Refraction: 1.693; (14)Molar Refractivity: 140.17 cm³; (15)Molar Volume: 365.1 cm³; (16)Polarizability: 55.56x10^-24cm³; (17)Surface Tension: 92.6 dyne/cm; (18)Enthalpy of Vaporization: 134.79 kJ/mol; (19)Boiling Point: 885.2 °C at 760 mmHg; (20)Vapour Pressure: 1.36E-33 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C\4c5c(O)cc(O[C@@H]2O[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]2O)cc5O/C(c3ccc(OC)cc3)=C/4
(2)InChI: InChI=1/C28H32O14/c1-11-21(31)23(33)25(35)27(39-11)38-10-19-22(32)24(34)26(36)28(42-19)40-14-7-15(29)20-16(30)9-17(41-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-9,11,19,21-29,31-36H,10H2,1-2H3/t11-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1
(3)InChIKey: YFVGIJBUXMQFOF-PJOVQGMDBT
(4)Std. InChI: InChI=1S/C28H32O14/c1-11-21(31)23(33)25(35)27(39-11)38-10-19-22(32)24(34)26(36)28(42-19)40-14-7-15(29)20-16(30)9-17(41-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-9,11,19,21-29,31-36H,10H2,1-2H3/t11-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1
(5)Std. InChIKey: YFVGIJBUXMQFOF-PJOVQGMDSA-N