GinDB-AI: An integrated ginsenoside database and AI-driven platform for multidimensional information and biological activity prediction
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Compound Information
ID 84
TrivialName 6″-O-acetylginsenoside Rb1
Type PPD
MF C₅₆H₉₄O₂₄
MolecularWeight 1151.344
IUPACName NT
m/z 1195.6085
Retention Time 32.85
CCS 358.91
Adducts NT
Isomeric SMILES CC1(C)[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(C)=O)O3)[C@@H](O)[C@H](O)[C@@H](CO)O2)CC[C@@]4(C)C1CC[C@]5(C)C4C[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](CO[C@@H]8[C@@H](O)[C@H](O)[C@@H](O)[C@H](CO)O8)O7)CC/C=C(C)/C
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)C(O)C7O)C(O)C(O)C6O)CCC45C)C3(C)C)OC(CO)C(O)C2O)C(O)C(O)C1O
Source PQ
Functions Immunosuppressive activity, Anti-inflammation
Year 2014
References

Samimi et al. (2014)

Structure 6″-O-acetylginsenoside Rb1