GinDB-AI: An integrated ginsenoside database and AI-driven platform for multidimensional information and biological activity prediction
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Compound Information
ID 157
TrivialName 6'''-O-Acetylginsenoside Re
Type PPT
MF C₅₀H₈₄O₁₉
MolecularWeight 989.203000000001
IUPACName NT
m/z NT
Retention Time NT
CCS NT
Adducts NT
Isomeric SMILES CC1(C)[C@@H](O[H])CC[C@@]2(C)C1[C@@H](O[C@H]3[C@H](O[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4)[C@@H](O)[C@H](O)[C@@H](CO)O3)C[C@]5(C)C2C[C@@H](O)C6[C@@]5(C)CCC6[C@@](C)(O[C@H]7[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(C)=O)O7)CC/C=C(C)/C
Canonical SMILES CC(=O)OCC1OC(OC(C)(CCC=C(C)C)C2CCC3(C)C2C(O)CC2C4(C)CCC(O)C(C)(C)C4C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)CC23C)C(O)C(O)C1O
Source PJ
Functions NT
Year 2011
References

Zhou et al. (2011)

Structure 6'''-O-Acetylginsenoside Re