Salidroside

The Salidroside with CAS registry number of 10338-51-9 is also known as b-D-Glucopyranoside, 2-(4-hydroxyphenyl)ethyl. The IUPAC name is (2R,3S,4S,5R,6R)-2-(Hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxane-3,4,5-triol. It belongs to product categories of Plant Oils, Toxins, Phenolic Acids & Derivatives; Nutritional Supplements; Functional Products. In addition, the formula is C₁₄H₂₀O₇ and the molecular weight is 300.31. This chemical is a red-brown fine powder.

Physical properties about Salidroside are: (1)ACD/LogP: -1.23; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -1.23; (4)ACD/LogD (pH 7.4): -1.23; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.08; (8)ACD/KOC (pH 7.4): 5.07; (9)#H bond acceptors: 7; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 10; (12)Index of Refraction: 1.628; (13)Molar Refractivity: 72.79 cm³; (14)Molar Volume: 204.9 cm³; (15)Surface Tension: 77.6 dyne/cm; (16)Density: 1.46 g/cm³; (17)Flash Point: 286.2 °C; (18)Enthalpy of Vaporization: 87.28 kJ/mol; (19)Boiling Point: 549.5 °C at 760 mmHg; (20)Vapour Pressure: 6.54E-13 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1=CC(=CC=C1CCOC2C(C(C(C(O2)CO)O)O)O)O
2. Isomeric SMILES: C1=CC(=CC=C1CCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O
3. InChI: InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1
4. InChIKey: ILRCGYURZSFMEG-RKQHYHRCSA-N

The toxicity data is as follows: