The Cimicifugic acid A, with CAS registry number 205114-65-4, has the systematic name of (2R,3S)-2-(3,4-dihydroxybenzyl)-2-hydroxy-3-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}butanedioic acid. This chemical can occur in black cohosh (Cimicifuga racemosa (L.) Nutt., Actaea racemosa (Ranunculaceae)). And the chemical formula of this chemical is C₂₁H₂₀O₁₁.

Physical properties of Cimicifugic acid A: (1)ACD/LogP: 2.37; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -2.34; (4)ACD/LogD (pH 7.4): -2.38; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 11; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 14; (12)Polar Surface Area: 125.05 Å²; (13)Index of Refraction: 1.69; (14)Molar Refractivity: 108.48 cm³; (15)Molar Volume: 283.6 cm³; (16)Polarizability: 43×10^-24cm³; (17)Surface Tension: 84.7 dyne/cm; (18)Density: 1.581 g/cm³; (19)Flash Point: 259.3 °C; (20)Enthalpy of Vaporization: 113.37 kJ/mol; (21)Boiling Point: 740.6 °C at 760 mmHg; (22)Vapour Pressure: 4.92E-23 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@](O)(Cc1ccc(O)c(O)c1)[C@H](OC(=O)\C=C\c2cc(OC)c(O)cc2)C(=O)O
(2)InChI: InChI=1/C21H20O11/c1-31-16-9-11(2-6-14(16)23)4-7-17(25)32-18(19(26)27)21(30,20(28)29)10-12-3-5-13(22)15(24)8-12/h2-9,18,22-24,30H,10H2,1H3,(H,26,27)(H,28,29)/b7-4+/t18-,21-/m1/s1
(3)InChIKey: LIJMMUDJSMCVDJ-ZHBFVYIWBM
(4)Std. InChI: InChI=1S/C21H20O11/c1-31-16-9-11(2-6-14(16)23)4-7-17(25)32-18(19(26)27)21(30,20(28)29)10-12-3-5-13(22)15(24)8-12/h2-9,18,22-24,30H,10H2,1H3,(H,26,27)(H,28,29)/b7-4+/t18-,21-/m1/s1
(5)Std. InChIKey: LIJMMUDJSMCVDJ-ZHBFVYIWSA-N