GinDB-AI: An integrated ginsenoside database and AI-driven platform for multidimensional information and biological activity prediction
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Compound Information
ID 127
TrivialName Ginsenoside Rg1
Type PPT
MF C₄₂H₇₂O₁₄
MolecularWeight 801.024
IUPACName (2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-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-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
m/z 845.4896
Retention Time 10.21
CCS 296.6
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](O)[C@H](O)[C@@H](CO)O3)C[C@]4(C)C2C[C@@H](O)C5[C@@]4(C)CCC5[C@@](C)(O[C@H]6[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O6)CC/C=C(C)/C
Canonical SMILES CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O)C(O)C3O)CC12C
Source PG
Functions neuroprotective agent, pro-angiogenic agent, anti-viral, Anti-tumor(GJIC modulators), Anti-cancer, hemostatic, Central nervous system excitement, memory and learning improvement, anti-stress, anti-fatigue, platelet aggregation inhibition, vasodilatation
Toxicity Organism mouse
Toxicity Type LD50
Toxicity Route intraperitoneal
Toxicity Dose 405 mg/kg
Year 1971
References

Nagai et al. (1971)

Structure Ginsenoside Rg1