GinDB-AI: An integrated ginsenoside database and AI-driven platform for multidimensional information and biological activity prediction
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Compound Information
ID 82
TrivialName ginsenoside Rb5
Type PPD
MF C₆₀H₁₀₂O₂₈
MolecularWeight 1271.448
IUPACName NT
m/z 1315.6541
Retention Time 17.73
CCS 370.73
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](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O5)[C@@H](CO)O4)[C@@H](CO)O3)[C@@H](O)[C@H](O)[C@@H](CO)O2)CC[C@@]6(C)C1CC[C@]7(C)C6C[C@@H](O)C8[C@@]7(C)CCC8[C@@](C)(O[C@H]9[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O9)CC/C=C(C)/C
Canonical SMILES CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(OC5OC(CO)C(OC6OC(CO)C(O)C(O)C6O)C(O)C5O)C(O)C4O)C(C)(C)C3CCC12C
Source PG
Functions NT
Year 2016
References

Xu et al. (2016)

Structure ginsenoside Rb5