GinDB-AI: An integrated ginsenoside database and AI-driven platform for multidimensional information and biological activity prediction
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Compound Information
ID 649
TrivialName Gypenoside LXIX
Type PPD
MF C₅₃H₉₀O₂₃
MolecularWeight 1095.28
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)CC[C@@]4(C)C1CC[C@]5(C)C4C[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](COC8[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)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC12C
Source PN
Functions NT
Year 2018
References

Liu et al. (2018)

Structure Gypenoside LXIX