GinDB-AI: An integrated ginsenoside database and AI-driven platform for multidimensional information and biological activity prediction
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Compound Information
ID 217
TrivialName 24(R)-Pseudoginsenoside F11
Type OT
MF C₄₂H₇₂O₁₄
MolecularWeight 801.024000000001
IUPACName (2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-17-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
m/z 845.4891
Retention Time 17.59
CCS 300.84
Adducts [M−H+HCOOH]−
Isomeric SMILES O[C@H]1CC[C@@]2(C)[C@]([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@@]7(C)CCC(C(C)(O)C)O7)([H])C1(C)C
Canonical SMILES CC1OC(OC2C(OC3CC4(C)C(CC(O)C5C(C6(C)CCC(C(C)(C)O)O6)CCC54C)C4(C)CCC(O)C(C)(C)C34)OC(CO)C(O)C2O)C(O)C(O)C1O
Source PpGh
Functions effective on central nervous system disorders
Year 1978
References

Tanaka and Yahara (1978)

Structure 24(R)-Pseudoginsenoside F11