GINSENOSIDE RD

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Synonyms
Status
Molecule Category UNKNOWN
UNII WB232T95AV

Structure

InChI Key RLDVZILFNVRJTL-IWFVLDDISA-N
Smiles CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@]12C
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C48H82O18
Molecular Weight 947.17
AlogP -0.03
Hydrogen Bond Acceptor 18.0
Hydrogen Bond Donor 12.0
Number of Rotational Bond 13.0
Polar Surface Area 298.14
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 66.0
Assay Description Organism Bioactivity Reference
Hepatoprotective activity against D-galactosamine/LPS-induced liver injury in ddY mouse assessed as inhibition of serum alanine transaminase level at 100 mg/kg, ip administered 1 hr before D-galactosamine/LPS challenge by Reitman-Frankel method Mus musculus 97.0 %
Hepatoprotective activity against D-galactosamine/LPS-induced liver injury in ddY mouse assessed as inhibition of serum aspartate transaminase level at 100 mg/kg, ip administered 1 hr before D-galactosamine/LPS challenge by Reitman-Frankel method Mus musculus 93.0 %
Hepatoprotective activity in mouse hepatocytes assessed inhibition of D-galactosamine/TNFalpha-induced cell death at 100 uM administered before 30 mins of TNFalpha challenge measured after 18 hrs Mus musculus 19.5 %
Hepatoprotective activity in mouse hepatocytes assessed inhibition of D-galactosamine/TNFalpha-induced cell death at 200 uM administered before 30 mins of TNFalpha challenge measured after 18 hrs Mus musculus 39.1 %
Hepatoprotective activity in mouse hepatocytes assessed inhibition of D-galactosamine/TNFalpha-induced cell death at 50 uM administered before 30 mins of TNFalpha challenge measured after 18 hrs Mus musculus 17.5 %
Inhibition of fMLP/CB-stimulated superoxide anion generation in human neutrophils at 30 uM relative to control Homo sapiens -3.54 %
Inhibition of fMLP/CB-activated human neutrophil degranulation assessed as inhibition of elastase release at 30 uM using MeO-Suc-Ala-Ala-Pro-Val-p-nitroanilide as a substrate after 5 mins relative to control Homo sapiens 2.88 %
Activation of recombinant AMPKalpha2beta1gamma1 (unknown origin) expressed in Escherichia coli BL21 in presence of CaMKKbeta (unknown origin) incubated for 45 mins in presence of substrate-1 peptide and ATP by HTRF assay Homo sapiens 16.8 nM
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging Homo sapiens -4.52 %
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate Severe acute respiratory syndrome coronavirus 2 7.699 %
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging Chlorocebus sabaeus -0.06 % Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging Chlorocebus sabaeus -0.06 %

Cross References

Resources Reference
ChEBI 67988
ChEMBL CHEMBL473659
FDA SRS WB232T95AV
PubChem 11679800
SureChEMBL SCHEMBL669260
ZINC ZINC000253387933
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