Molecular Structure of Morroniside (CAS No.25406-64-8):
 
Molecular Formula: C₁₇H₂₆O₁₁ 
Molecular Weight: 406.3817
CAS No: 25406-64-8
IUPAC Name: Methyl (1S,3R,4aS,8S,8aS)-3-hydroxy-1-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,4a,8,8a-hexahydropyrano[3,4-c]pyran-5-carboxylate  
H bond acceptors: 11
H bond donors: 5
Freely Rotating Bonds: 10
Polar Surface Area: 109.37 Å²
Index of Refraction: 1.596
Molar Refractivity: 90.59 cm³
Molar Volume: 265.9 cm³
Surface Tension: 73.2 dyne/cm
Density: 1.52 g/cm³
Flash Point: 226.9 °C
Enthalpy of Vaporization: 107.62 kJ/mol
Boiling Point: 635.6 °C at 760 mmHg
Vapour Pressure: 7.9E-19 mmHg at 25°C
InChI: InChI=1/C₁₇H₂₆O₁₁/c1-6-11-7(3-10(19)26-6)8(15(23)24-2)5-25-16(11)28-17-14(22)13(21)12(20)9(4-18)27-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9+,10+,11+,12+,13-,14+,16-,17-/m0/s1
InChIKey: YTZSBJLNMIQROD-SFBCHFHNBS
Std. InChI: InChI=1S/C₁₇H₂₆O₁₁/c1-6-11-7(3-10(19)26-6)8(15(23)24-2)5-25-16(11)28-17-14(22)13(21)12(20)9(4-18)27-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9+,10+,11+,12+,13-,14+,16-,17-/m0/s1
Std. InChIKey: YTZSBJLNMIQROD-SFBCHFHNSA-N

  Morroniside (CAS No.25406-64-8), its synonyms are 1H,3H-Pyrano[3,4-c]pyran-5-carboxylic acid, 8-(beta-D-glucopyranosyloxy)-4,4a,8,8a-tetrahydro-3-hydroxy-1-methyl-, methyl ester, (1S,3R,4aS,8S,8aS)- ; B-Morroniside ; Methyl (1S,3R,4aS,8S,8aS)-8-(beta-D-glucopyranosyloxy)-3-hydroxy-1-methyl-4,4a,8,8a-tetrahydro-1H,3H-pyrano[3,4-c]pyran-5-carboxylate .