GinDB-AI: An integrated ginsenoside database and AI-driven platform for multidimensional information and biological activity prediction
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Compound Information
ID 593
TrivialName Acetyl-ginsenoside Rc
Type PPD
MF C₅₅H₉₂O₂₃
MolecularWeight 1121.318
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@@]4([H])[C@@]3(C)CCC4[C@@](CC/C=C(C)/C)(C)O[C@H]5[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]6[C@H](O)[C@@H](O)[C@H](CO)O6)O5)C(C)(C)[C@@H](O[C@H]7[C@H](O[C@H]8[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(C)=O)O8)[C@@H](O)[C@H](O)[C@@H](CO)O7)CC1
Canonical SMILES CC(=O)OCC1OC(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)C(O)C1O
Source PG
Functions NT
Year 2020
References

Chen et al. (2020)

Structure Acetyl-ginsenoside Rc