IUPAC Name :(3S,4S)-4-[(3,4-dimethoxyphenyl)methyl]-3-hydroxy-3-[[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]oxolan-2-one
InChI :InChI=1/C27H34O12/c1-34-17-6-4-14(9-19(17)35-2)8-16-13-37-26(32)27(16,33)11-15-5-7-18(20(10-15)36-3)38-25-24(31)23(30)22(29)21(12-28)39-25/h4-7,9-10,16,21-25,28-31,33H,8,11-13H2,1-3H3/t16-,21+,22+,23-,24+,25+,27-/m0/s1
Std.InChI: InChI=1S/C27H34O12/c1-34-17-6-4-14(9-19(17)35-2)8-16-13-37-26(32)27(16,33)11-15-5-7-18(20(10-15)36-3)38-25-24(31)23(30)22(29)21(12-28)39-25/h4-7,9-10,16,21-25,28-31,33H,8,11-13H2,1-3H3/t16-,21+,22+,23-,24+,25+,27-/m0/s1
InChIKey :LWYAMIUSVGPFKS-CGLYQLBNBE
Std.InChIKey: LWYAMIUSVGPFKS-CGLYQLBNSA-N
SMILES :COC1=C(C=C(C=C1)C[C@H]2COC(=O)[C@@]2(CC3=CC(=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC)O)OC
MDL: MFCD00870631
Molar Refractivity :135.75 ± 0.3 cm3 (est)
Parachor :1108.7 ± 6.0 cm3 (est)
Index of Refraction :1.618 ± 0.02
(est)
Surface Tension :67.1 ± 3.0 dyne/cm (est)
Density :1.421 ± 0.06 g/cm3 (est)
Polarizability :53.81 ± 0.5 10-24cm3 (est)