GinDB-AI: An integrated ginsenoside database and AI-driven platform for multidimensional information and biological activity prediction
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Compound Information
ID 141
TrivialName Ginsenoside F3
Type PPT
MF C₄₁H₇₀O₁₃
MolecularWeight 770.998
IUPACName (2S,3R,4S,5S,6R)-2-[(2S)-6-methyl-2-[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,6,12-trihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-en-2-yl]oxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
m/z 815.479
Retention Time 21.29
CCS 300.57
Adducts [M−H+HCOOH]−
Isomeric SMILES CC1(C)[C@@H](O[H])CC[C@@]2(C)C1[C@@H](O[H])C[C@]3(C)C2C[C@@H](O)C4[C@@]3(C)CCC4[C@@](C)(O[C@H]5[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@@H]6[C@@H](O)[C@H](O)[C@H](O)CO6)O5)CC/C=C(C)/C
Canonical SMILES CC(C)=CCCC(C)(OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C
Source PG
Functions NT
Year 1976
References

Yahara et al. (1976)

Structure Ginsenoside F3