theaflavin 3-O-gallate

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InChI :InChI=1/C36H28O16/c37-14-5-20(39)18-10-26(45)35(51-27(18)7-14)17-9-25(44)33(48)30-16(17)1-12(2-24(43)32(30)47)34-29(11-19-21(40)6-15(38)8-28(19)50-34)52-36(49)13-3-22(41)31(46)23(42)4-13/h1-9,26,29,34-35,37-42,44-46,48H,10-11H2,(H,43,47)/t26-,29-,34-,35-/m1/s1
Std.InChI: InChI=1S/C36H28O16/c37-14-5-20(39)18-10-26(45)35(51-27(18)7-14)17-9-25(44)33(48)30-16(17)1-12(2-24(43)32(30)47)34-29(11-19-21(40)6-15(38)8-28(19)50-34)52-36(49)13-3-22(41)31(46)23(42)4-13/h1-9,26,29,34-35,37-42,44-46,48H,10-11H2,(H,43,47)/t26-,29-,34-,35-/m1/s1
InChIKey :KMJPKUVSXFVQGZ-WQLSNUALBC
Std.InChIKey: KMJPKUVSXFVQGZ-WQLSNUALSA-N
SMILES :O=C\1C(\O)=C5C(=C/C(=C/1)[C@H]4Oc2cc(O)cc(O)c2C[C@H]4OC(=O)c3cc(O)c(O)c(O)c3)\C(=CC(\O)=C5\O)[C@H]7Oc6cc(O)cc(O)c6C[C@H]7O
Molar Refractivity :171.86 ± 0.4 cm3 (est)
Parachor :1312.3 ± 6.0 cm3 (est)
Index of Refraction :1.897 ± 0.03 (est)
Surface Tension :158.1 ± 5.0 dyne/cm (est)
Density :1.93 ± 0.1 g/cm3 (est)
Polarizability :68.13 ± 0.5 10-24cm3 (est)