GinDB-AI: An integrated ginsenoside database and AI-driven platform for multidimensional information and biological activity prediction
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Compound Information
ID 723
TrivialName Polyacetylene ginsenoside Ro
Type OA
MF C₆₅H₁₀₀O₂₁
MolecularWeight 1217.494
IUPACName NT
m/z NT
Retention Time NT
CCS NT
Adducts NT
Isomeric SMILES C[C@@]12C(CC[C@]3(C)C2CC=C4[C@@]3(C)CC[C@]5(C(O[C@H]6[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O6)=O)C4CC(C)(C)CC5)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](CO)O8)[C@H](O)[C@@H](O)[C@H](C(O[C@H]([C@@H](O)CC#CC#CC(O)C=C)CCCCCCC)=O)O7)CC1
Canonical SMILES C=CC(O)C#CC#CCC(O)C(CCCCCCC)OC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)OC5OC(CO)C(O)C(O)C5O)CCC34C)C2(C)C)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O
Source PG
Functions anti-HIV
Year 2002
References

Zhang et al. (2002)

Structure Polyacetylene ginsenoside Ro