GinDB-AI: An integrated ginsenoside database and AI-driven platform for multidimensional information and biological activity prediction
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Compound Information
ID 100
TrivialName Gypenoside CII
Type PPD
MF C₅₃H₉₀O₂₄
MolecularWeight 1111.279
IUPACName NT
m/z NT
Retention Time NT
CCS NT
Adducts NT
Isomeric SMILES CC1(C)[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)[C@@H](O)[C@H](O)[C@@H](CO)O2)[C@H](O[H])C[C@]4(C)C([C@@]5(C)CCC41)C[C@@H](O)C6[C@@]5(C)CC[C@@H]6[C@@](C/C=C/C(C)(O)C)(C)O[C@H]7[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]8[C@H](O)[C@@H](O)[C@H](O)CO8)O7
Canonical SMILES CC(C)(O)C=CCC(C)(OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CC(O)C(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC12C
Source Other
Functions Anti-inflammation
Year 2021
References

Lou et al. (2021)

Structure Gypenoside CII