7H-Furo[3,2-g][1]benzopyran-7-one,2-[1-(b-D-glucopyranosyloxy)-1-methylethyl]-2,3-dihydro-,(2R)- (495-31-8)

The cas register number of Nodakenin is 495-31-8. It also can be called as (2R)-2-[2-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-7-one and the IUPAC Name about this chemical is (2R)-2-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-7-one. 

Physical properties about Nodakenin are: (1)ACD/LogP: -0.66; (2)ACD/LogD (pH 5.5): -0.66; (3)ACD/LogD (pH 7.4): -0.66; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 10.38; (7)ACD/KOC (pH 7.4): 10.38; (8)#H bond acceptors: 9; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 8; (11)Polar Surface Area: 90.91Ų; (12)Index of Refraction: 1.65; (13)Molar Refractivity: 98.44 cm³; (14)Molar Volume: 269.5 cm³; (15)Polarizability: 39.02x10^-24cm³; (16)Surface Tension: 76.3 dyne/cm; (17)Enthalpy of Vaporization: 98.69 kJ/mol; (18)Boiling Point: 635.4 °C at 760 mmHg; (19)Vapour Pressure: 5.12E-17 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C\2Oc1cc3OCC(c3cc1/C=C/2)C(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO)(C)C
(2)InChI: InChI=1/C20H24O9/c1-20(2,29-19-18(25)17(24)16(23)14(7-21)28-19)11-8-26-13-6-12-9(5-10(11)13)3-4-15(22)27-12/h3-6,11,14,16-19,21,23-25H,7-8H2,1-2H3/t11?,14-,16-,17+,18-,19+/m1/s1
(3)InChIKey: VZHKHKSASHTEAE-HITRCLMTBV
(4)Std. InChI: InChI=1S/C20H24O9/c1-20(2,29-19-18(25)17(24)16(23)14(7-21)28-19)11-8-26-13-6-12-9(5-10(11)13)3-4-15(22)27-12/h3-6,11,14,16-19,21,23-25H,7-8H2,1-2H3/t11?,14-,16-,17+,18-,19+/m1/s1
(5)Std. InChIKey: VZHKHKSASHTEAE-HITRCLMTSA-N