IUPAC Name :[(2R,3R)-2-[8-[5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-3,4-dihydro-2H-chromen-2-yl]-3a,5,6-trihydroxy-3-oxo-8bH-cyclopenta[b][1]benzofuran-1-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
InChI :InChI=1/C43H32O21/c44-15-5-21(46)17-10-30(62-41(57)13-1-23(48)35(54)24(49)2-13)38(60-28(17)7-15)19-9-27(52)37(56)40-33(19)34-20(12-32(53)43(34,59)64-40)39-31(11-18-22(47)6-16(45)8-29(18)61-39)63-42(58)14-3-25(50)36(55)26(51)4-14/h1-9,12,30-31,34,38-39,44-52,54-56,59H,10-11H2/t30?,31-,34?,38?,39-,43?/m1/s1
Std.InChI: InChI=1S/C43H32O21/c44-15-5-21(46)17-10-30(62-41(57)13-1-23(48)35(54)24(49)2-13)38(60-28(17)7-15)19-9-27(52)37(56)40-33(19)34-20(12-32(53)43(34,59)64-40)39-31(11-18-22(47)6-16(45)8-29(18)61-39)63-42(58)14-3-25(50)36(55)26(51)4-14/h1-9,12,30-31,34,38-39,44-52,54-56,59H,10-11H2/t30?,31-,34?,38?,39-,43?/m1/s1
InChIKey :YYUUNHNAFZSUQJ-IGYZVPSABB
Std.InChIKey: YYUUNHNAFZSUQJ-IGYZVPSASA-N
SMILES :C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=O)C4(C3C5=C(O4)C(=C(C=C5C6C(CC7=C(C=C(C=C7O6)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O)O)O)O)OC(=O)C9=CC(=C(C(=C9)O)O)O
Molar Refractivity :206.12 ± 0.4 cm3 (est)
Parachor :1581.6 ± 6.0 cm3 (est)
Index of Refraction :1.927 ± 0.03
(est)
Surface Tension :176.4 ± 5.0 dyne/cm (est)
Density :2.03 ± 0.1 g/cm3 (est)
Polarizability :81.71 ± 0.5 10-24cm3 (est)