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Ginsenoside Rd

CAT: 0931-T2878-06Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T2878-06Size:50 mg
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CAS Number
52705-93-8
Target
Cytochromes P450, Calcium Channel, NF-κB, COX, Endogenous Metabolite
Related Pathways
Neuroscience, Metabolism, Immunology/Inflammation, Membrane transporter/Ion channel, NF-κB
Purity
0.9992
Bioactivity
Ginsenoside Rd (Gypenoside VIII) may have properties that inhibit or prevent the growth of tumors.
Smiles
[H][C@@]12[C@H](CC[C@@]1(C)[C@]1(C)CC[C@@]3([H])C(C)(C)[C@H](CC[C@]3(C)[C@@]1([H])C[C@H]2O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)(CCC=C(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Molecular Formula
C48H82O18
Molecular Weight
947.15
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ginsenoside Rd

Ginsenoside Rd is a ginsenoside found in Panax ginseng and Panax japonicus var. major that is (20S)-ginsenoside Rg3 in which the hydroxy group at position 20 has been converted to its beta-D-glucopyranoside. It has a role as an anti-inflammatory drug, an immunosuppressive agent, a neuroprotective agent, an apoptosis inducer, a vulnerary and a plant metabolite. It is a beta-D-glucoside, a tetracyclic triterpenoid and a ginsenoside. It is functionally related to a (20S)-ginsenoside Rg3.

CAS Number52705-93-8
PubChem CID11679800
IUPAC Name(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular FormulaC48H82O18
Molecular Weight947.2
XLogP2.4
Topological Polar Surface Area298
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count18
Rotatable Bond Count13
Heavy Atom Count66
Formal Charge0
Complexity1680
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)CO)O)O)O)C)C)O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C
InChI
InChI=1S/C48H82O18/c1-22(2)10-9-14-48(8,66-42-39(60)36(57)33(54)26(20-50)62-42)23-11-16-47(7)31(23)24(52)18-29-45(5)15-13-30(44(3,4)28(45)12-17-46(29,47)6)64-43-40(37(58)34(55)27(21-51)63-43)65-41-38(59)35(56)32(53)25(19-49)61-41/h10,23-43,49-60H,9,11-21H2,1-8H3/t23-,24+,25+,26+,27+,28-,29+,30-,31-,32+,33+,34+,35-,36-,37-,38+,39+,40+,41-,42-,43-,45-,46+,47+,48-/m0/s1
InChIKey
RLDVZILFNVRJTL-IWFVLDDISA-N
Chemical Structure
2D Structure
2D structure of Ginsenoside Rd
CAS: 52705-93-8
CID: 11679800
Formula: C48H82O18
MW: 947.2
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight947.2
XLogP32.4
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count18
Rotatable Bond Count13
Exact Mass946.55011576
Monoisotopic Mass946.55011576
Topological Polar Surface Area298 Ų
Heavy Atom Count66
Formal Charge0
Complexity1680
Isotope Atom Count0
Defined Atom Stereocenter Count25
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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