The Crocin, with the CAS registry number 42553-65-1, is also known as trans-Crocetin di(β-D-gentiobiosyl) ester. Its EINECS number is 255-881-6. This chemical's molecular formula is C₄₄H₆₄O₂₄ and molecular weight is 976.96. What's more, its systematic name is Bis[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-2H-pyran-2-yl] (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramet hyl-2,4,6,8,10,12,14-hexadecaheptaenedioate. This chemical is a natural carotenoid chemical compound that is found in the flowers crocus and gardenia. It can be prepared by extaction in ethanol or water. It is the diester formed from the disaccharide gentiobiose and the dicarboxylic acid crocetin. When dissolved in water, it forms an orange solution. Crocin is the chemical ingredient primarily responsible for the color of saffron. 

Physical properties of Crocin are: (1)ACD/LogP: -4.742; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -4.74; (4)ACD/LogD (pH 7.4): -4.74; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 24; (10)#H bond donors: 14; (11)#Freely Rotating Bonds: 34; (12)Polar Surface Area: 391.2 Å²; (13)Index of Refraction: 1.65; (14)Molar Refractivity: 231.297 cm³; (15)Molar Volume: 634.286 cm³; (16)Polarizability: 91.693×10^-24cm³; (17)Surface Tension: 88.2 dyne/cm; (18)Density: 1.54 g/cm³; (19)Flash Point: 337.752 °C; (20)Enthalpy of Vaporization: 195.192 kJ/mol; (21)Boiling Point: 1169.038 °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(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)\C(=C\C=C\C(=C\C=C\C=C(\C=C\C=C(\C(=O)O[C@@H]4O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]4O)C)C)C)C
(2)Std. InChI: InChI=1S/C44H64O24/c1-19(11-7-13-21(3)39(59)67-43-37(57)33(53)29(49)25(65-43)17-61-41-35(55)31(51)27(47)23(15-45)63-41)9-5-6-10-20(2)12-8-14-22(4)40(60)68-44-38(58)34(54)30(50)26(66-44)18-62-42-36(56)32(52)28(48)24(16-46)64-42/h5-14,23-38,41-58H,15-18H2,1-4H3/b6-5+,11-7+,12-8+,19-9+,20-10+,21-13+,22-14+/t23-,24-,25-,26-,27-,28-,29-,30-,31+,32+,33+,34+,35-,36-,37-,38-,41-,42-,43+,44+/m1/s1
(3)Std. InChIKey: SEBIKDIMAPSUBY-RTJKDTQDSA-N

The toxicity data is as follows: