The Theaflavin 3-gallate, with the CAS registry number 30462-34-1, is also known as Theaflavin 3-O-gallate. It belongs to the product category of Miscellaneous Natural Products. This chemical's molecular formula is C₃₆H₂₈O₁₆ and molecular weight is 716.60. What's more, its systematic name is called (2R,3R)-5,7-Dihydroxy-2-{3,4,5-trihydroxy-6-oxo-1-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]-6H-benzo[7]annulen-8-yl}-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate. Theaflavin-3-gallate is a theaflavin derivative. It can be found in black tea.

Physical properties about Theaflavin 3-gallate are: (1)ACD/LogP: 2.329; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 1.29; (4)ACD/LogD (pH 7.4): -0.51; (5)ACD/BCF (pH 5.5): 3.16; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 40.13; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 16; (10)#H bond donors: 11; (11)#Freely Rotating Bonds: 16; (12)Polar Surface Area: 284.36 Å²; (13)Index of Refraction: 1.894; (14)Molar Refractivity: 171.512 cm³; (15)Molar Volume: 370.492 cm³; (16)Polarizability: 67.993×10^-24cm³; (17)Surface Tension: 151.947 dyne/cm; (18)Density: 1.934 g/cm³; (19)Flash Point: 373.16 °C; (20)Enthalpy of Vaporization: 181.856 kJ/mol; (21)Boiling Point: 1173.618 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) 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
(2) 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
(3) InChIKey: KMJPKUVSXFVQGZ-WQLSNUALSA-N