(25R)-3β-(2-O-α-L-Rhamnopyranosyl-β-D-glucopyranosyloxy)spirosta-5-ene

The beta-Glucopyranoside, (3beta,25R)-spirost-5-en-3-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-, with the CAS registry number 19057-67-1, has molecular formula C₃₉H₆₂O₁₂. In addition, this chemical's molecular weight is 722.9024. Its systematic name is called (3β,25R)-spirost-5-en-3-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside.

Physical properties of beta-Glucopyranoside, (3beta,25R)-spirost-5-en-3-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-: (1)ACD/LogP: 5.21; (2)# of Rule of 5 Violations: 4; (3)ACD/LogD (pH 5.5): 7; (4)ACD/LogD (pH 7.4): 7; (5)ACD/BCF (pH 5.5): 103326; (6)ACD/BCF (pH 7.4): 103325; (7)ACD/KOC (pH 5.5): 135130; (8)ACD/KOC (pH 7.4): 135128; (9)#H bond acceptors: 12; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 11; (12)Index of Refraction: 1.605; (13)Molar Refractivity: 185.267 cm³; (14)Molar Volume: 537.807 cm³; (15)Surface Tension: 63.277 dyne/cm; (16)Density: 1.344 g/cm³; (17)Flash Point: 461.102 °C; (18)Enthalpy of Vaporization: 138.652 kJ/mol; (19)Boiling Point: 838.82 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

Preparation beta-Glucopyranoside, (3beta,25R)-spirost-5-en-3-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-: this chemical can be prepared by diosgenyl 2,3,4-tri-O-acetyl-α-L-rhamnopyranosyl-(1-2)-4,6-O-benzylidene-β-D-glucopyranoside. This reaction will need reagent 80percent AcOH. The reaction time is 2 hours with reaction temperature of 70 °C. The yield is about 77%.

You can still convert the following datas into molecular structure:
(1)SMILES: O1[C@@H]4[C@H]([C@@H]([C@]12OC[C@@H](CC2)C)C)[C@@]5(C)CC[C@@H]3[C@@]8(C(=C/C[C@H]3[C@@H]5C4)\C[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC8)C
(2)InChI: InChI=1/C39H62O12/c1-18-8-13-39(46-17-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(44)30(42)27(16-40)49-36)50-35-33(45)31(43)29(41)20(3)47-35/h6,18-20,22-36,40-45H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32+,33-,34-,35+,36-,37+,38+,39-/m1/s1
(3)InChIKey: HDXIQHTUNGFJIC-FOAHKCLGBT