GinDB-AI: An integrated ginsenoside database and AI-driven platform for multidimensional information and biological activity prediction
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Compound Information
ID 262
TrivialName Ginsenoside Rh3
Type C17-side chain varied
MF C₃₆H₆₀O₇
MolecularWeight 604.869
IUPACName (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-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-3-yl]oxy]oxane-3,4,5-triol
m/z 649.4339
Retention Time 57.32
CCS 291.14
Adducts [M−H+HCOOH]−
Isomeric SMILES CC1(C)[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)CC[C@@]3(C)C1C([H])C[C@]4(C)C3C[C@@H](O)C5[C@@]4(C)CCC5/C(C)=C\C/C=C(C)\C
Canonical SMILES CC(C)=CCC=C(C)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC12C
Source PG
Functions Anti-inflammatory, Antioxidant, regulating brown adipose tissue thermogenesis
Year 1987
References

Chen et al. (1987)

Structure Ginsenoside Rh3