IUPAC Name :(1S,3R,4R,5R)-3-[2-[6-[(2R,3R)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-3,4-dihydro-2H-chromen-2-yl]-2,3,4-trihydroxyphenyl]-3,4,5-trihydroxybenzoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid
InChI :InChI=1/C36H32O21/c37-11-3-15(38)12-7-22(56-33(50)10-1-16(39)26(44)17(40)2-10)32(55-21(12)4-11)13-5-18(41)28(46)30(48)24(13)25-14(6-19(42)29(47)31(25)49)34(51)57-23-9-36(54,35(52)53)8-20(43)27(23)45/h1-6,20,22-23,27,32,37-49,54H,7-9H2,(H,52,53)/t20-,22-,23-,27-,32-,36+/m1/s1
Std.InChI: InChI=1S/C36H32O21/c37-11-3-15(38)12-7-22(56-33(50)10-1-16(39)26(44)17(40)2-10)32(55-21(12)4-11)13-5-18(41)28(46)30(48)24(13)25-14(6-19(42)29(47)31(25)49)34(51)57-23-9-36(54,35(52)53)8-20(43)27(23)45/h1-6,20,22-23,27,32,37-49,54H,7-9H2,(H,52,53)/t20-,22-,23-,27-,32-,36+/m1/s1
InChIKey :YTEPTVNKATZITA-AUQXLAPOBZ
Std.InChIKey: YTEPTVNKATZITA-AUQXLAPOSA-N
SMILES :C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3C4=C(C(=C(C=C4C(=O)O[C@@H]5C[C@@](C[C@H]([C@H]5O)O)(C(=O)O)O)O)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O
Molar Refractivity :180.78 ± 0.4 cm3 (est)
Parachor :1439.7 ± 6.0 cm3 (est)
Index of Refraction :1.901 ± 0.03
(est)
Surface Tension :189.0 ± 5.0 dyne/cm (est)
Density :2.06 ± 0.1 g/cm3 (est)
Polarizability :71.66 ± 0.5 10-24cm3 (est)