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Ginsenoside Rs2

CAT: 0013-GTR19164948-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19164948-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Ginsenoside Rs2 is a natural saponin isolated from Panax japonicus var. leaves. It is utilized in biochemical research, with studies investigating its potential bioactivities in both cellular (in vitro) and animal (in vivo) experimental models.
CAS Number
87733-66-2
Product Name Alternative
Ginsenoside Rs2, Ginsenoside Rs-2
Purity
94.00% (May vary between batches)
Solubility
DMSO:100 mg/mL (89.18 mM)
Smiles
C[C@]12[C@@]3 (C) [C@@] ([C@]4 (C) [C@@] (CC3) (C (C) (C) [C@@H] (O[C@H]5[C@H] (O[C@@H]6O[C@H] (COC (C) =O) [C@@H] (O) [C@H] (O) [C@H]6O) [C@@H] (O) [C@H] (O) [C@@H] (CO) O5) CC4) [H]) (C[C@@H] (O) [C@@]1 ([C@@] ([C@@] (O[C@@H]7O[C@H] (CO[C@@H]8O[C@@H] (CO) [C@H] (O) [C@H]8O) [C@@H] (O) [C@H] (O) [C@H]7O) (CCC=C (C) C) C) (CC2) [H]) [H]) [H]
Molecular Formula
C55H92O23
Molecular Weight
1121.31
Storage Conditions
Powder: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.
Notes
For research use only.

Chemical Information

Ginsenoside Rs2
CAS Number87733-66-2
PubChem CID101596948
IUPAC Name[(2R,3S,4S,5R,6S)-6-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(2S)-2-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-methylhept-5-en-2-yl]-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
Molecular FormulaC55H92O23
Molecular Weight1121.3
XLogP0.9
Topological Polar Surface Area363
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count23
Rotatable Bond Count18
Heavy Atom Count78
Formal Charge0
Complexity2060
SMILES
CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](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)COC(=O)C)O)O)O)C)C)O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO[C@H]8[C@@H]([C@H]([C@@H](O8)CO)O)O)O)O)O)C
InChI
InChI=1S/C55H92O23/c1-24(2)11-10-15-55(9,78-49-45(69)41(65)39(63)31(75-49)23-71-47-43(67)37(61)29(21-57)72-47)26-12-17-54(8)35(26)27(59)19-33-52(6)16-14-34(51(4,5)32(52)13-18-53(33,54)7)76-50-46(42(66)36(60)28(20-56)73-50)77-48-44(68)40(64)38(62)30(74-48)22-70-25(3)58/h11,26-50,56-57,59-69H,10,12-23H2,1-9H3/t26-,27+,28+,29-,30+,31+,32-,33+,34-,35-,36+,37-,38+,39+,40-,41-,42-,43+,44+,45+,46+,47+,48-,49-,50-,52-,53+,54+,55-/m0/s1
InChIKey
XUBSZCIZVSPSMQ-HTVDCONZSA-N
Chemical Structure
2D Structure
2D structure of Ginsenoside Rs2
CAS: 87733-66-2
CID: 101596948
Formula: C55H92O23
MW: 1121.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1121.3
XLogP30.9
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count23
Rotatable Bond Count18
Exact Mass1120.60293918
Monoisotopic Mass1120.60293918
Topological Polar Surface Area363 Ų
Heavy Atom Count78
Formal Charge0
Complexity2060
Isotope Atom Count0
Defined Atom Stereocenter Count29
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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300354Ginsenoside Rg2 (20 (s) -Ginsenoside Rg2)
MDA73367-01Ginsenoside RS1
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HY-N11226Ginsenoside Ra0
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IDA45941-01Ginsenoside Ra1
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