IUPAC Name :[(1S,4aS,6S,7R,7aS)-6-hydroxy-7-(hydroxymethyl)-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl] 3-methylbutanoate
InChI :InChI=1/C27H44O16/c1-10(2)3-17(31)43-25-18-12(4-14(30)13(18)5-28)11(7-38-25)8-39-26-24(37)22(35)20(33)16(42-26)9-40-27-23(36)21(34)19(32)15(6-29)41-27/h7,10,12-16,18-30,32-37H,3-6,8-9H2,1-2H3/t12-,13-,14+,15-,16-,18+,19-,20-,21+,22+,23-,24-,25+,26-,27-/m1/s1
Std.InChI: InChI=1S/C27H44O16/c1-10(2)3-17(31)43-25-18-12(4-14(30)13(18)5-28)11(7-38-25)8-39-26-24(37)22(35)20(33)16(42-26)9-40-27-23(36)21(34)19(32)15(6-29)41-27/h7,10,12-16,18-30,32-37H,3-6,8-9H2,1-2H3/t12-,13-,14+,15-,16-,18+,19-,20-,21+,22+,23-,24-,25+,26-,27-/m1/s1
InChIKey :AKTRFOPOAKDICT-GHHIWPQQBX
Std.InChIKey: AKTRFOPOAKDICT-GHHIWPQQSA-N
SMILES :CC(C)CC(=O)O[C@H]1[C@H]2[C@H](C[C@@H]([C@H]2CO)O)C(=CO1)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O
Molar Refractivity :142.60 ± 0.4 cm3 (est)
Parachor :1225.3 ± 6.0 cm3 (est)
Index of Refraction :1.618 ± 0.03
(est)
Surface Tension :82.5 ± 5.0 dyne/cm (est)
Density :1.53 ± 0.1 g/cm3 (est)
Polarizability :56.53 ± 0.5 10-24cm3 (est)