Ginsenoside Rh1

The beta-D-Glucopyranoside, (3β,6α,12β)-3,12,20-trihydroxydammar-24-en-6-yl, with the CAS registry number 63223-86-9, is also known as Ginsenoside Rh1. It belongs to the product category of Ginsenoside Series. This chemical's molecular formula is C₃₅H₆₀O₉ and molecular weight is 624.85. What's more, its IUPAC name is called (2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-Dihydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol.

Physical properties about beta-D-Glucopyranoside, (3β,6α,12β)-3,12,20-trihydroxydammar-24-en-6-yl are: (1)ACD/LogP: 3.289; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 3.29; (4)ACD/LogD (pH 7.4): 3.29; (5)ACD/BCF (pH 5.5): 186.03; (6)ACD/BCF (pH 7.4): 186.03; (7)ACD/KOC (pH 5.5): 1466.13; (8)ACD/KOC (pH 7.4): 1466.12; (9)#H bond acceptors: 9; (10)#H bond donors: 7; (11)#Freely Rotating Bonds: 14; (12)Polar Surface Area: 160.07 Å²; (13)Index of Refraction: 1.581; (14)Molar Refractivity: 172.215 cm³; (15)Molar Volume: 516.924 cm³; (16)Polarizability: 68.271×10^-24 cm³; (17)Surface Tension: 57.83 dyne/cm; (18)Density: 1.236 g/cm³; (19)Flash Point: 410.457 °C; (20)Enthalpy of Vaporization: 125.516 kJ/mol; (21)Boiling Point: 755.079 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: C/C(C)=C\CC[C@](C)(O)[C@H]5CC[C@]4(C)[C@@H]5[C@H](O)C[C@H]3[C@@]4(C)C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]2[C@]3(C)CC[C@H](O)[C@@]2(C)C
(2) InChI: InChI=1S/C36H62O9/c1-19(2)10-9-13-36(8,43)20-11-15-34(6)26(20)21(38)16-24-33(5)14-12-25(39)32(3,4)30(33)22(17-35(24,34)7)44-31-29(42)28(41)27(40)23(18-37)45-31/h10,20-31,37-43H,9,11-18H2,1-8H3/t20-,21+,22-,23+,24+,25-,26-,27+,28-,29+,30-,31+,33+,34+,35+,36-/m0/s1
(3) InChIKey: RAQNTCRNSXYLAH-RFCGZQMISA-N