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Ginsenoside Rd

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Name

Ginsenoside Rd

EINECS 258-118-5
CAS No. 52705-93-8 Density 1.37 g/cm3
PSA 298.14000 LogP -0.02680
Solubility N/A Melting Point 204~206℃
Formula C48H82O18 Boiling Point 1020.4 °C at 760 mmHg
Molecular Weight 947.168 Flash Point 570.9 °C
Transport Information N/A Appearance N/A
Safety 2-45 Risk Codes 22
Molecular Structure Molecular Structure of 52705-93-8 (Ginsenoside Rd) Hazard Symbols Xn
Synonyms

Dammarane,b-D-glucopyranoside deriv.;Gypenoside VIII;ginsenoside R;

Article Data 8

Ginsenoside Rd Specification

The Ginsenoside Rd, also known as Gypenoside VIII, is an organic compound with the formula C48H82O18. It belongs to the product categories of Saponins; The group of Ginsenosides; Ginsenoside Series. Its EINECS registry number is 258-118-5. With the CAS registry number 52705-93-8, its IUPAC name is (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(10R,12S,13S,14R,17S)-17-[(2S)-4,6-dimethyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-12-hydroxy-4,4,10,14-tetramethyl-1,2,3,5,6,7,8,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.

Physical properties of Ginsenoside Rd: (1)ACD/LogP: 3.38; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 170; (6)ACD/BCF (pH 7.4): 170; (7)ACD/KOC (pH 5.5): 1376; (8)ACD/KOC (pH 7.4): 1376; (9)#H bond acceptors: 18; (10)#H bond donors: 12; (11)#Freely Rotating Bonds: 25; (12)Index of Refraction: 1.611; (13)Molar Refractivity: 238.146 cm3; (14)Molar Volume: 685.716 cm3; (15)Surface Tension: 71.718 dyne/cm; (16)Density: 1.381 g/cm3; (17)Flash Point: 568.034 °C; (18)Enthalpy of Vaporization: 167.984 kJ/mol; (19)Boiling Point: 1015.632 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed. You should keep out of the reach of children. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(CC(C)(C1CCC2(C1C(CC3C2CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)C)O)C)OC7C(C(C(C(O7)CO)O)O)O)C=C(C)C
(2)Isomeric SMILES: CC(C[C@@](C)([C@H]1CC[C@]2([C@H]1[C@H](CC3C2CCC4[C@@]3(CCC(C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C=C(C)C
(3)InChI: InChI=1S/C48H82O18/c1-21(2)15-22(3)17-48(8,66-43-40(60)37(57)34(54)28(19-50)62-43)24-11-13-47(7)23-9-10-30-45(4,5)31(12-14-46(30,6)25(23)16-26(52)32(24)47)64-44-41(38(58)35(55)29(20-51)63-44)65-42-39(59)36(56)33(53)27(18-49)61-42/h15,22-44,49-60H,9-14,16-20H2,1-8H3/t22?,23?,24-,25?,26-,27+,28+,29+,30?,31?,32+,33+,34+,35+,36-,37-,38-,39+,40+,41+,42-,43-,44-,46+,47+,48-/m0/s1
(4)InChIKey: IRBVCFDYIGGFFY-ADSMOORZSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 324mg/kg (324mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 25, Pg. 343, 1975.

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