GinDB-AI: An integrated ginsenoside database and AI-driven platform for multidimensional information and biological activity prediction
Jump to section
Compound Information
ID 624
TrivialName Epoxynotoginsenoside A
Type PPD
MF C₅₄H₉₀O₂₃
MolecularWeight 1107.291
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](/C=C(C)/C)C[C@]4(C)O[C@H]5[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@@H]6[C@@H](O)[C@H](O)[C@@H](O)[C@H](CO)O6)O5)[C@@]7([H])[C@@]3(C)CC[C@@]74[H])C(C)(C)[C@@H](O[C@H]8[C@H](O[C@H]9[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O9)[C@@H](O)[C@H](O)[C@@H](CO)O8)CC1
Canonical SMILES CC(C)=CC1CC(C)(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C2CCC3(C)C2C(CC2C4(C)CCC(OC5OC(CO)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)C(C)(C)C4CCC23C)O1
Source PN
Functions NT
Year 2015
References

YUAN et al. (2015)

Structure Epoxynotoginsenoside A