IUPAC Name :6-[[(3S,6bS)-8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-hydroxy-4,5-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxane-2-carboxylic acid
InChI :InChI=1/C48H76O19/c1-43(2)14-16-48(42(60)61)17-15-46(6)21(22(48)18-43)8-9-26-45(5)12-11-27(44(3,4)25(45)10-13-47(26,46)7)64-41-37(67-40-33(56)31(54)29(52)24(20-50)63-40)35(34(57)36(66-41)38(58)59)65-39-32(55)30(53)28(51)23(19-49)62-39/h8,22-37,39-41,49-57H,9-20H2,1-7H3,(H,58,59)(H,60,61)/t22?,23?,24?,25?,26?,27-,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,39?,40?,41?,45?,46+,47?,48?/m0/s1
Std.InChI: InChI=1S/C48H76O19/c1-43(2)14-16-48(42(60)61)17-15-46(6)21(22(48)18-43)8-9-26-45(5)12-11-27(44(3,4)25(45)10-13-47(26,46)7)64-41-37(67-40-33(56)31(54)29(52)24(20-50)63-40)35(34(57)36(66-41)38(58)59)65-39-32(55)30(53)28(51)23(19-49)62-39/h8,22-37,39-41,49-57H,9-20H2,1-7H3,(H,58,59)(H,60,61)/t22?,23?,24?,25?,26?,27-,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,39?,40?,41?,45?,46+,47?,48?/m0/s1
InChIKey :YDZWHGJRWMQCDP-MQYWXEPLBI
Std.InChIKey: YDZWHGJRWMQCDP-MQYWXEPLSA-N
SMILES :C[C@@]12CCC3(CCC(CC3C1=CCC4C2(CCC5C4(CC[C@@H](C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(C(O7)CO)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)C)(C)C)C(=O)O
Molar Refractivity :234.85 ± 0.4 cm3 (est)
Parachor :1959.7 ± 6.0 cm3 (est)
Index of Refraction :1.627 ± 0.03
(est)
Surface Tension :76.6 ± 5.0 dyne/cm (est)
Density :1.44 ± 0.1 g/cm3 (est)
Polarizability :93.10 ± 0.5 10-24cm3 (est)