The Shanzhiside methyl ester, with the CAS registry number 64421-28-9, is also known as Methyl (1S,4aS,5R,7S,7aS)-1-(β-D-glucopyranosyloxy)-5,7-dihydroxy-7-methyl-1,4alpha,5,6,7,7alpha-hexahydrocyclopenta[c]pyran-4-carboxylate. It belongs to the product category of Iridoids. This chemical's molecular formula is C₁₇H₂₆O₁₁ and molecular weight is 406.147512. Its IUPAC name is called methyl (1S,5R,7S)-5,7-dihydroxy-7-methyl-1-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4alpha,5,6,7alpha-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate.

Physical properties of Shanzhiside methyl ester: (1)ACD/LogP: -2.03; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -3; (4)ACD/LogD (pH 7.4): -3; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 11; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 11; (12)Index of Refraction: 1.621; (13)Molar Refractivity: 90.416 cm³; (14)Molar Volume: 256.98 cm³; (15)Surface Tension: 81.843 dyne/cm; (16)Density: 1.581 g/cm³; (17)Flash Point: 233.014 °C; (18)Enthalpy of Vaporization: 109.924 kJ/mol; (19)Boiling Point: 651.373 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)\C2=C\O[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]3[C@@](C)(O)C[C@@H](O)[C@H]23
(2)InChI: InChI=1/C17H26O11/c1-17(24)3-7(19)9-6(14(23)25-2)5-26-15(10(9)17)28-16-13(22)12(21)11(20)8(4-18)27-16/h5,7-13,15-16,18-22,24H,3-4H2,1-2H3/t7-,8-,9+,10-,11-,12+,13-,15+,16+,17+/m1/s1
(3)InChIKey: KKSYAZCUYVRKML-IRDZEPHTBW