GinDB-AI: An integrated ginsenoside database and AI-driven platform for multidimensional information and biological activity prediction
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Compound Information
ID 261
TrivialName Ginsenoside Rg4
Type C17-side chain varied
MF C₄₂H₇₀O₁₂
MolecularWeight 767.01
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-4,4,8,10,14-pentamethyl-17-[(2Z)-6-methylhepta-2,5-dien-2-yl]-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 811.4834
Retention Time 45.71
CCS 301.95
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)=C\C/C=C(C)\C
Canonical SMILES CC(C)=CCC=C(C)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-inflammatory, Antioxidant, promote hair growth and improve skin barrier function
Year 1989
References

Zhang et al. (1989)

Structure Ginsenoside Rg4