GinDB-AI: An integrated ginsenoside database and AI-driven platform for multidimensional information and biological activity prediction
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Compound Information
ID 118
TrivialName Notoginsenoside SFt9
Type PPD
MF C₄₇H₈₀O₁₉
MolecularWeight 949.138
IUPACName NT
m/z NT
Retention Time NT
CCS NT
Adducts NT
Isomeric SMILES O[C@H]1C(C([C@](O)(C)C/C=C/C(C)(OO)C)CC2)[C@]2(C)[C@]3(C)CCC4C(C)(C)[C@@H](O[C@H]5[C@H](O[C@H]6[C@H](O[C@H]7[C@H](O)[C@@H](O)[C@H](O)CO7)[C@@H](O)[C@H](O)[C@@H](CO)O6)[C@@H](O)[C@H](O)[C@@H](CO)O5)CC[C@]4(C)C3C1
Canonical SMILES CC(C)(C=CCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4OC4OCC(O)C(O)C4O)C(C)(C)C3CCC12C)OO
Source PN
Functions NT
Year 2022
References

Zhang et al. (2022)

Structure Notoginsenoside SFt9