GinDB-AI: An integrated ginsenoside database and AI-driven platform for multidimensional information and biological activity prediction
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Compound Information
ID 338
TrivialName Ginsenoside Re5
Type C17-side chain varied
MF C₄₂H₇₂O₁₅
MolecularWeight 817.023
IUPACName NT
m/z NT
Retention Time NT
CCS NT
Adducts NT
Isomeric SMILES O[C@H]1CC[C@@]2(C)C([C@@H](O[C@H]3[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)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@@](CC/C=C(C)/CO)(C)O)C1(C)C
Canonical SMILES CC(=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)CC12C)CO
Source PG
Functions anti-cancer, Neuroregulation activity
Year 2011
References

Zhu et al. (2011a,b)

Structure Ginsenoside Re5