GinDB-AI: An integrated ginsenoside database and AI-driven platform for multidimensional information and biological activity prediction
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Compound Information
ID 392
TrivialName notoginsenoside-LY
Type C17-side chain varied
MF C₄₁H₆₈O₁₂
MolecularWeight 752.983
IUPACName NT
m/z NT
Retention Time NT
CCS NT
Adducts NT
Isomeric SMILES CC1(C)[C@@H](O[H])CC[C@@]2(C)C1C([H])C[C@]3(C)C2C[C@@H]4C5[C@@]3(C)CCC5[C@@](C)(O[C@H]6[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]7[C@H](O)[C@@H](O)[C@H](CO)O7)O6)CC(/C=C(C)/C)O4
Canonical SMILES CC(C)=CC1CC(C)(OC2OC(COC3OC(CO)C(O)C3O)C(O)C(O)C2O)C2CCC3(C)C2C(CC2C4(C)CCC(O)C(C)(C)C4CCC23C)O1
Source PN
Functions anti-diabetic, anti-obesity, inhibitory activity against PTP1B (diabetes)
Year 2014
References

Li et al. (2014)

Structure notoginsenoside-LY