KAEMPFEROL 3-O-GLUCORHAMNOSIDE

The 4H-1-Benzopyran-4-one,3-[(6-deoxy-a-L-mannopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-, with the CAS registry number 482-39-3, is also known as 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 6-deoxy-α-L-mannopyranoside. This chemical's molecular formula is C₂₁H₂₀O₁₀ and molecular weight is 432.3775. What's more, its IUPAC name is 5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one.

Physical properties about 4H-1-Benzopyran-4-one,3-[(6-deoxy-a-L-mannopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)- are: (1)ACD/LogP: 2.37; (2)#of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 2.26; (4)ACD/LogD (pH 7.4): 0.77; (5)ACD/BCF (pH 5.5): 28.66; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 356.25; (8)ACD/KOC (pH 7.4): 11.6; (9)#H bond acceptors: 10; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 100.14 Å²; (13)Index of Refraction: 1.748; (14)Molar Refractivity: 102.92 cm³; (15)Molar Volume: 253.1 cm³; (16)Polarizability: 40.8×10^-24 cm³; (17)Surface Tension: 104.9 dyne/cm; (18)Density: 1.7 g/cm³; (19)Flash Point: 272.3 °C; (20)Enthalpy of Vaporization: 116.97 kJ/mol; (21)Boiling Point: 765.6 °C at 760 mmHg; (22)Vapour Pressure: 1.19E-24 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C2C(\O[C@@H]1O[C@H]([C@H](O)[C@@H](O)[C@H]1O)C)=C(/Oc3cc(O)cc(O)c23)c4ccc(O)cc4
(2) InChI: InChI=1/C21H20O10/c1-8-15(25)17(27)18(28)21(29-8)31-20-16(26)14-12(24)6-11(23)7-13(14)30-19(20)9-2-4-10(22)5-3-9/h2-8,15,17-18,21-25,27-28H,1H3/t8-,15-,17+,18+,21-/m0/s1
(3) InChIKey: SOSLMHZOJATCCP-AEIZVZFYBW