GinDB-AI: An integrated ginsenoside database and AI-driven platform for multidimensional information and biological activity prediction
Jump to section
Compound Information
ID 22
TrivialName Ginsenoside Ra8
Type PPD
MF C₅₇H₉₄O₂₃
MolecularWeight 1147.356
IUPACName NT
m/z 1191.6165
Retention Time 46.14
CCS 365.54
Adducts [M−H+HCOOH]−
Isomeric SMILES CC1(C)[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](OC(/C([H])=C([H])/C)=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)CCC6[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](CO)O8)O7)CC/C=C(C)/C
Canonical SMILES CC=CC(=O)OC1C(CO)OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC(O)C4C(C(C)(CCC=C(C)C)OC6OC(COC7OC(CO)C(O)C7O)C(O)C(O)C6O)CCC45C)C3(C)C)OC(CO)C(O)C2O)C(O)C1O
Source PG
Functions NT
Year 2011
References

Zhu et al. (2011b)

Structure Ginsenoside Ra8