GinDB-AI: An integrated ginsenoside database and AI-driven platform for multidimensional information and biological activity prediction
Jump to section
Compound Information
ID 540
TrivialName nototronesides B
Type Miscellaneous
MF C₄₉H₈₂O₂₃
MolecularWeight 1039.172
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(C(C(C)(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]5[C@H](O)[C@@H](O)[C@H](O)CO5)O4)CC)CCC3=C)=O)C(C)(C)C(O[C@H]6[C@H](O[C@H]7[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O7)[C@@H](O)[C@H](O)[C@@H](CO)O6)CC1
Canonical SMILES C=C1CCC(C(C)(CC)OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)C(=O)C(O)CC2C1(C)CCC1C(C)(C)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)CCC21C
Source PN
Functions cardiovascular; anti-inflammatory
Year 2018
References

Liu et al. (2018)

Structure nototronesides B