GinsenosideRo

The Ginsenoside Ro, with the CAS registry number of 34367-04-9, is also known as Chikusetusaponin V and Chikusetsusaponin 5. It belongs to the product category of The Group of Ginsenosides. This chemical's molecular formula is C₄₈H₇₆O₁₉ and molecular weight is 957.109. What's more, its IUPAC name is (2S, 3S, 4S, 5R, 6R)-6-[[(3S, 4αR, 6αR, 6βS, 8αS, 12αS, 14αR, 14βR)-4, 4, 6α, 6β, 11, 11, 14β-heptamethyl-8α-[(2S, 3R, 4S, 5S, 6R)-3, 4, 5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1, 2, 3, 4α, 5, 6, 7, 8, 9, 10, 12, 12α, 14, 14α-tetradecahydropicen-3-yl]oxy]-3, 4-dihydroxy-5-[(2S, 3R, 4S, 5S, 6R)-3, 4, 5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid. This chemical's classification codes are Drug / Therapeutic Agent; Natural Product.

Physical properties about Ginsenoside Ro are: (1)ACD/LogP: 6.29; (2)# of Rule of 5 Violations: 4; (3)ACD/LogD (pH 5.5): 3.59; (4)ACD/LogD (pH 7.4): 2.6; (5)ACD/BCF (pH 5.5): 70.92; (6)ACD/BCF (pH 7.4): 7.17; (7)ACD/KOC (pH 5.5): 125.4; (8)ACD/KOC (pH 7.4): 12.68; (9)#H bond acceptors: 19; (10)#H bond donors: 11; (11)#Freely Rotating Bonds: 20; (12)Polar Surface Area: 191.05 Å²; (13)Index of Refraction: 1.627; (14)Molar Refractivity: 234.85 cm³; (15)Molar Volume: 662.2 cm³; (16)Surface Tension: 76.6 dyne/cm; (17)Density: 1.44 g/cm³; (18)Flash Point: 289.2 °C; (19)Enthalpy of Vaporization: 168.49 kJ/mol; (20)Boiling Point: 1018.6 °C at 760 mmHg; (21)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](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@]83[C@H](/C2=C/C[C@H]7[C@](C)([C@]2(C)CC3)CC[C@@H]6[C@]7(C)CC[C@H](O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H ]4O)CO)C6(C)C)CC(C)(C)CC8
(2) InChI: InChI=1/C48H76O19/c1-43(2)14-16-48(42(61)67-40-35(58)31(54)29(52)24(20-50)63-40)17-15-46(6)21(22(48)18-43)8-9-26-45(5)12-11-27(44(3,4)25(45)10-13-47(26,46)7)64-41-37(33(56)32(55)36(65-41)38(59)60)66-39-34(57)30(53)28(51)23(19-49)62-39/h8,22-37,39-41,49-58H,9-20H2,1-7H3,(H,59,60)/t22-,23+,24+,25-,26+,27-,28+,29+,30-,31-,32-,33-,34+,35+,36-,37+,39-,40-,41+,45-,46+,47+,48-/m0/s1
(3) InChIKey: NFZYDZXHKFHPGA-QQHDHSITBM

The toxicity data is as follows: