Angoroside C

The IUPAC name of Angoroside C is  [(2R,3R,4R,5R,6R)-5-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-4-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-3-yl](E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate. With the CAS registry number 115909-22-3, it is also named as beta-D-Glucopyranoside,2-(3-hydroxy-4-methoxyphenyl)ethyl O-a-L-arabinopyranosyl-(1®6)-O-[6-deoxy-a-L-mannopyranosyl-(1®3)]-,4-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate]. The product's categories are Miscellaneous Natural Products; Reference Substance. In addition, its molecular formula is C₃₆H₄₈O₁₉ and molecular weight is 784.75.

The other characteristics of Angoroside C can be summarized as: (1)ACD/LogP: 2.66; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 2.66; (4)ACD/LogD (pH 7.4): 2.66; (5)ACD/BCF (pH 5.5): 61.71; (6)ACD/BCF (pH 7.4): 61.43; (7)ACD/KOC (pH 5.5): 665.09; (8)ACD/KOC (pH 7.4): 662.02; (9)#H bond acceptors: 19; (10)#H bond donors: 9; (11)#Freely Rotating Bonds: 24; (12)Polar Surface Area: 183.21 Å²; (13)Index of Refraction: 1.651; (14)Molar Refractivity: 185.65 cm³; (15)Molar Volume: 507.8 cm³; (16)Polarizability: 73.59×10^-24cm³; (17)Surface Tension: 85.4 dyne/cm; (18)Density: 1.54 g/cm³; (19)Flash Point: 301.7 °C; (20)Enthalpy of Vaporization: 150.53 kJ/mol; (21)Boiling Point: 985.7 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(O[C@H]3[C@H](O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]1O)[C@@H](O)[C@H](OCCc2ccc(OC)c(O)c2)O[C@@H]3CO[C@@H]4OC[C@H](O)[C@H](O)[C@H]4O)\C=C\c5ccc(O)c(OC)c5
(2)InChI: InChI=1/C36H48O19/c1-16-26(41)28(43)30(45)36(52-16)55-33-31(46)35(49-11-10-18-5-8-22(47-2)20(38)12-18)53-24(15-51-34-29(44)27(42)21(39)14-50-34)32(33)54-25(40)9-6-17-4-7-19(37)23(13-17)48-3/h4-9,12-13,16,21,24,26-39,41-46H,10-11,14-15H2,1-3H3/b9-6+/t16-,21-,24+,26+,27-,28+,29+,30+,31+,32+,33+,34-,35+,36-/m0/s1
(3)InChIKey: KLQXMRBGMLHBBQ-FUNGFBQYBW