IUPAC Name :5,7-dihydroxy-2-(4-methoxyphenyl)-3,6-bis[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
InChI :InChI=1/C28H32O15/c1-40-10-4-2-9(3-5-10)26-17(28-25(39)23(37)19(33)14(8-30)43-28)21(35)16-12(41-26)6-11(31)15(20(16)34)27-24(38)22(36)18(32)13(7-29)42-27/h2-6,13-14,18-19,22-25,27-34,36-39H,7-8H2,1H3/t13-,14-,18-,19-,22+,23+,24-,25-,27+,28+/m1/s1
Std.InChI: InChI=1S/C28H32O15/c1-40-10-4-2-9(3-5-10)26-17(28-25(39)23(37)19(33)14(8-30)43-28)21(35)16-12(41-26)6-11(31)15(20(16)34)27-24(38)22(36)18(32)13(7-29)42-27/h2-6,13-14,18-19,22-25,27-34,36-39H,7-8H2,1H3/t13-,14-,18-,19-,22+,23+,24-,25-,27+,28+/m1/s1
InChIKey :RRYBNEMBSQZZBH-BPZUQCIGBI
Std.InChIKey: RRYBNEMBSQZZBH-BPZUQCIGSA-N
SMILES :COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O
Molar Refractivity :142.20 ± 0.3 cm3 (est)
Parachor :1137.5 ± 6.0 cm3 (est)
Index of Refraction :1.718 ± 0.02
(est)
Surface Tension :99.0 ± 3.0 dyne/cm (est)
Density :1.687 ± 0.06 g/cm3 (est)
Polarizability :56.37 ± 0.5 10-24cm3 (est)