GinDB-AI: An integrated ginsenoside database and AI-driven platform for multidimensional information and biological activity prediction
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Compound Information
ID 527
TrivialName 12-one-pseudoginsenoside F11
Type Miscellaneous
MF C₄₂H₇₀O₁₄
MolecularWeight 799.008
IUPACName NT
m/z 843.4724
Retention Time 16.36
CCS 298.71
Adducts [M−H+HCOOH]−
Isomeric SMILES C[C@@]12C(C(O[H])C[C@]([C@@]3(C)C4C([C@]5(C)CC[C@H](C(C)(O)C)O5)CC3)(C)C2CC4=O)C(C)(C)[C@@H](O[C@H]6[C@H](O[C@H]7[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O7)[C@@H](O)[C@H](O)[C@@H](CO)O6)CC1
Canonical SMILES CC1OC(OC2C(OC3CCC4(C)C(C(O)CC5(C)C4CC(=O)C4C(C6(C)CCC(C(C)(C)O)O6)CCC45C)C3(C)C)OC(CO)C(O)C2O)C(O)C(O)C1O
Source PQ
Functions type 2 diabetes.
Year 2020
References

Qi et al. (2020)

Structure 12-one-pseudoginsenoside F11