The CAS register number of Isoquercitrin is 21637-25-2. It also can be called as 2-(3,4-Hihydroxyphenyl)-3-(beta-D-glucofuranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one and the systematic name about this chemical is 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl β-D-glucofuranoside. The molecular formula about this chemical is C₂₁H₂₀O₁₂ and the molecular weight is 464.38. It belongs to the Flavanols.

Physical properties about Isoquercitrin are: (1)ACD/LogP: 0.82; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 0.74; (4)ACD/LogD (pH 7.4): -0.72; (5)ACD/BCF (pH 5.5): 2.05; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 54.88; (8)ACD/KOC (pH 7.4): 1.91; (9)#H bond acceptors: 12; (10)#H bond donors: 8; (11)#Freely Rotating Bonds: 13; (12)Polar Surface Area: 118.6Ų; (13)Index of Refraction: 1.803; (14)Molar Refractivity: 105.98 cm³; (15)Molar Volume: 247.1 cm³; (16)Polarizability: 42.01x10^-24cm³; (17)Surface Tension: 134.8 dyne/cm; (18)Enthalpy of Vaporization: 139.58 kJ/mol; (19)Boiling Point: 916.3 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C3c4c(O)cc(O)cc4O/C(c1ccc(O)c(O)c1)=C3/O[C@@H]2O[C@H]([C@H](O)CO)[C@H](O)[C@H]2O
(2)InChI: InChI=1/C21H20O12/c22-6-12(27)19-16(29)17(30)21(32-19)33-20-15(28)14-11(26)4-8(23)5-13(14)31-18(20)7-1-2-9(24)10(25)3-7/h1-5,12,16-17,19,21-27,29-30H,6H2/t12-,16-,17-,19-,21+/m1/s1
(3)InChIKey: OPJZLUXFQFQYAI-GNPVFZCLBD
(4)Std. InChI: InChI=1S/C21H20O12/c22-6-12(27)19-16(29)17(30)21(32-19)33-20-15(28)14-11(26)4-8(23)5-13(14)31-18(20)7-1-2-9(24)10(25)3-7/h1-5,12,16-17,19,21-27,29-30H,6H2/t12-,16-,17-,19-,21+/m1/s1
(5)Std. InChIKey: OPJZLUXFQFQYAI-GNPVFZCLSA-N