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Ginsenoside Rb2

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Name

Ginsenoside Rb2

EINECS 234-251-4
CAS No. 11021-13-9 Density 1.43 g/cm3
PSA 357.06000 LogP -1.56350
Solubility N/A Melting Point 197-199 °C
Formula C53H90O22 Boiling Point 1117.1 °C at 760 mmHg
Molecular Weight 1079.28 Flash Point 629.4 °C
Transport Information N/A Appearance White powder
Safety 45 Risk Codes 22
Molecular Structure Molecular Structure of 11021-13-9 (Ginsenoside Rb2) Hazard Symbols N/A
Synonyms

Dammarane,b-D-glucopyranoside deriv.;Ginsenoside C;NSC 308878;b-D-Glucopyranoside, (3b,12b)-20-[(6-O-a-L-arabinopyranosyl-b-D-glucopyranosyl)oxy]-12-hydroxydammar-24-en-3-yl2-O-b-D-glucopyranosyl-;20-((6-O-alpha-L-Arabinopyranosyl-beta-D-glucopyranosyl)oxy)-12beta-hydroxydammar-24-en-3beta-yl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside;(3β,12β)-20-{[6-O-(α-L-Arabinopyranosyl)-β-D-glucopyranosyl]oxy}-12-hydroxydammar-24-en-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside;

Article Data 6

Ginsenoside Rb2 Specification

The Ginsenoside Rb2, with the CAS registry number 11021-13-9, is also known as 20-((6-O-alpha-L-Arabinopyranosyl-beta-D-glucopyranosyl)oxy)-12beta-hydroxydammar-24-en-3beta-yl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside. It belongs to the product categories of Saponins; Ginsenoside series. Its EINECS number is 234-251-4. This chemical's molecular formula is C53H90O22 and molecular weight is 1079.27. What's more, its systematic name is (3β,12β)-20-{[6-O-(α-L-Arabinopyranosyl)-β-D-glucopyranosyl]oxy}-12-hydroxydammar-24-en-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside. Its classification codes are: (1)Antilipemic agents; (2)Antimetabolites; (3)Antineoplastic agents; (4)Drug / Therapeutic Agent; (5)Natural Product. This chemical is from ginseng, and it can inhibit tumor metastasis of B16-BL6.

Physical properties of Ginsenoside Rb2 are: (1)ACD/LogP: 4.726; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 4.73; (4)ACD/LogD (pH 7.4): 4.73; (5)ACD/BCF (pH 5.5): 2296.39; (6)ACD/BCF (pH 7.4): 2296.38; (7)ACD/KOC (pH 5.5): 8854.30; (8)ACD/KOC (pH 7.4): 8854.27; (9)#H bond acceptors: 22; (10)#H bond donors: 14; (11)#Freely Rotating Bonds: 29; (12)Polar Surface Area: 357.06 Å2; (13)Index of Refraction: 1.622; (14)Molar Refractivity: 265.723 cm3; (15)Molar Volume: 754.826 cm3; (16)Polarizability: 105.341×10-24cm3; (17)Surface Tension: 76.58 dyne/cm; (18)Density: 1.43 g/cm3; (19)Flash Point: 629.415 °C; (20)Enthalpy of Vaporization: 185.802 kJ/mol; (21)Boiling Point: 1117.125 °C at 760 mmHg; (22)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. In case of accident or if you feel unwell, you must seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: O[C@H]8[C@H](OC[C@H]7O[C@@H](O[C@@](C)(CC\C=C(/C)C)[C@H]5CC[C@@]4(C)[C@]6(C)CC[C@H]3C(C)(C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CC[C@]3(C)[C@H]6C[C@@H](O)[C@@H]45)[C@H](O)[C@@H](O)[C@@H]7O)OC[C@H](O)[C@@H]8O(2)Std. InChI: InChI=1S/C53H90O22/c1-23(2)10-9-14-53(8,75-47-43(67)39(63)37(61)29(72-47)22-69-45-41(65)34(58)26(57)21-68-45)24-11-16-52(7)33(24)25(56)18-31-50(5)15-13-32(49(3,4)30(50)12-17-51(31,52)6)73-48-44(40(64)36(60)28(20-55)71-48)74-46-42(66)38(62)35(59)27(19-54)70-46/h10,24-48,54-67H,9,11-22H2,1-8H3/t24-,25+,26-,27+,28+,29+,30-,31+,32-,33-,34-,35+,36+,37+,38-,39-,40-,41+,42+,43+,44+,45-,46-,47-,48-,50-,51+,52+,53-/m0/s1
(3)Std. InChIKey: NODILNFGTFIURN-GZPRDHCNSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 305mg/kg (305mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 25, Pg. 343, 1975.

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