IUPAC Name :3,5-dihydroxy-6-[[2-hydroxy-4,4,6a,6b,14b-pentamethyl-11-methylidene-8a-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxane-2-carboxylic aci
InChI :InChI=1/C47H72O19/c1-19-10-13-47(42(60)66-40-32(55)30(53)28(51)24(18-48)62-40)15-14-45(6)21(22(47)16-19)8-9-26-44(5)17-23(49)37(43(3,4)25(44)11-12-46(26,45)7)65-41-34(57)35(33(56)36(64-41)38(58)59)63-39-31(54)29(52)27(50)20(2)61-39/h8,20,22-37,39-41,48-57H,1,9-18H2,2-7H3,(H,58,59)
Std.InChI: InChI=1S/C47H72O19/c1-19-10-13-47(42(60)66-40-32(55)30(53)28(51)24(18-48)62-40)15-14-45(6)21(22(47)16-19)8-9-26-44(5)17-23(49)37(43(3,4)25(44)11-12-46(26,45)7)65-41-34(57)35(33(56)36(64-41)38(58)59)63-39-31(54)29(52)27(50)20(2)61-39/h8,20,22-37,39-41,48-57H,1,9-18H2,2-7H3,(H,58,59)
InChIKey :TZCDWUQFJLHHQX-UHFFFAOYAQ
Std.InChIKey: TZCDWUQFJLHHQX-UHFFFAOYSA-N
SMILES :CC1C(C(C(C(O1)OC2C(C(OC(C2O)OC3C(CC4(C(C3(C)C)CCC5(C4CC=C6C5(CCC7(C6CC(=C)CC7)C(=O)OC8C(C(C(C(O8)CO)O)O)O)C)C)C)O)C(=O)O)O)O)O)O
Molar Refractivity :229.73 ± 0.4 cm3 (est)
Parachor :1906.7 ± 6.0 cm3 (est)
Index of Refraction :1.634 ± 0.03
(est)
Surface Tension :77.9 ± 5.0 dyne/cm (est)
Density :1.46 ± 0.1 g/cm3 (est)
Polarizability :91.07 ± 0.5 10-24cm3 (est)