GinDB-AI: An integrated ginsenoside database and AI-driven platform for multidimensional information and biological activity prediction
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Compound Information
ID 594
TrivialName Acetyl-ginsenoside Rd
Type PPD
MF C₅₀H₈₄O₁₉
MolecularWeight 989.203000000001
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)O5)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](COC(C)=O)O7)[C@@H](O)[C@H](O)[C@@H](CO)O6)CC1
Canonical SMILES CC(=O)OCC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC(O)C4C(C(C)(CCC=C(C)C)OC6OC(CO)C(O)C(O)C6O)CCC45C)C3(C)C)OC(CO)C(O)C2O)C(O)C(O)C1O
Source PJ
Functions NT
Year 2018
References

Chen et al. (2020)

Structure Acetyl-ginsenoside Rd