GinDB-AI: An integrated ginsenoside database and AI-driven platform for multidimensional information and biological activity prediction
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Compound Information
ID 128
TrivialName Ginsenoside Rg2
Type PPT
MF C₄₂H₇₂O₁₃
MolecularWeight 785.025000000001
IUPACName (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
m/z 829.4941
Retention Time 21.05
CCS 300.64
Adducts [M−H+HCOOH]−
Isomeric SMILES CC1(C)[C@@H](O[H])CC[C@@]2(C)C1[C@@H](O[C@H]3[C@H](O[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4)[C@@H](O)[C@H](O)[C@@H](CO)O3)C[C@]5(C)C2C[C@@H](O)C6[C@@]5(C)CCC6[C@@](C)(O[H])CC/C=C(C)/C
Canonical SMILES CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)CC12C
Source PG
Functions Anti-obesity, anti-viral, cardioprotective agent, anticoagulant, Protects neurons, Promotes vascular endothelial cell proliferation, Inhibits platelet aggregation, Improves memory loss, Glandular activation
Toxicity Organism mouse
Toxicity Type LD51
Toxicity Route intraperitoneal
Toxicity Dose 1340 mg/kg
Year 1974
References

Sanada et al. (1974b)

Structure Ginsenoside Rg2