CURCULIGOSIDE

The IUPAC name of Curculigoside is [5-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 2,6-dimethoxybenzoate. With the CAS registry number 85643-19-2, it is also named as beta-D-Glucopyranoside, 2-(((2,6-dimethoxybenzoyl)oxy)methyl)-4-hydroxyphenyl. The product's category is Miscellaneous Natural Products. It is used for against β-amyloid aggregation in Alzheimer's disease. In addition, its molecular formula is C₂₂H₂₆O₁₁ and its molecular weight is 466.44.

The other characteristics of Curculigoside can be summarized as: (1)ACD/LogP: -0.02; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -0.02; (4)ACD/LogD (pH 7.4): -0.03; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 23.12; (8)ACD/KOC (pH 7.4): 22.99; (9)#H bond acceptors: 11; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 14; (12)Polar Surface Area: 109.37 Å²; (13)Index of Refraction: 1.623; (14)Molar Refractivity: 113.45 cm³; (15)Molar Volume: 321.5 cm³; (16)Polarizability: 44.97×10^-24cm³; (17)Surface Tension: 62 dyne/cm; (18)Density: 1.45 g/cm³; (19)Flash Point: 253.8 °C; (20)Enthalpy of Vaporization: 112.54 kJ/mol; (21)Boiling Point: 734.9 °C at 760 mmHg; (22)Vapour Pressure: 1.13E-22 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(OCc2c(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)ccc(O)c2)c3c(OC)cccc3OC
(2)InChI: InChI=1/C22H26O11/c1-29-14-4-3-5-15(30-2)17(14)21(28)31-10-11-8-12(24)6-7-13(11)32-22-20(27)19(26)18(25)16(9-23)33-22/h3-8,16,18-20,22-27H,9-10H2,1-2H3/t16-,18-,19+,20-,22-/m1/s1
(3)InChIKey: SJJRKHVKAXVFJQ-QKYBYQKWBO