GinDB-AI: An integrated ginsenoside database and AI-driven platform for multidimensional information and biological activity prediction
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Compound Information
ID 570
TrivialName 20(S)-protopanaxtriol
Type PPT
MF C₃₀H₅₂O₄
MolecularWeight 476.742
IUPACName NT
m/z 521.3857
Retention Time 49.67
CCS 228.62
Adducts [M−H+HCOOH]−
Isomeric SMILES O[C@H]1CC[C@@]2(C)C([C@@H](O)C[C@]3(C)C2C[C@@H](O)C4[C@@]3(C)CCC4[C@@](CC/C=C(C)/C)(C)O)C1(C)C
Canonical SMILES CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C
Source PG
Functions Anti-tumor
Year 2014
References

Xu et al. (2014)

Structure 20(S)-protopanaxtriol