CAS No.52705-93-8,Ginsenoside Rd Suppliers

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Basic Information

Molecular Structure:
CAS No.:	52705-93-8
Name:	Ginsenoside Rd
Article Data:	8

Formula:	C₄₈H₈₂O₁₈
Molecular Weight:	947.168
Synonyms:	Dammarane,b-D-glucopyranoside deriv.;Gypenoside VIII;ginsenoside R;
EINECS:	258-118-5
Density:	1.37 g/cm³
Melting Point:	204～206℃
Boiling Point:	1020.4 °C at 760 mmHg
Flash Point:	570.9 °C
Hazard Symbols:	Xn
Risk Codes:	22
Safety:	2-45
PSA:	298.14000
LogP:	-0.02680

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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.