GinDB-AI: An integrated ginsenoside database and AI-driven platform for multidimensional information and biological activity prediction
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Compound Information
ID 111
TrivialName Gypenoside CXIII
Type PPD
MF C₄₇H₈₀O₁₉
MolecularWeight 949.138
IUPACName NT
m/z NT
Retention Time NT
CCS NT
Adducts NT
Isomeric SMILES C[C@@]12C(CC[C@]3(C)C2C[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]5[C@H](O)[C@@H](O)[C@H](O)CO5)O4)C6[C@@]3(C)CC[C@@H]6[C@@](CCC(O)C(C)=C)(C)O)C(C)(C)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O7)[C@@H](O)C1
Canonical SMILES C=C(C)C(O)CCC(C)(O)C1CCC2(C)C1C(OC1OC(COC3OCC(O)C(O)C3O)C(O)C(O)C1O)CC1C3(C)CC(O)C(OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC12C
Source Other
Functions anti-cancer, regulates lipid metabolism
Year 2021
References

Lou et al. (2021)

Structure Gypenoside CXIII