GinDB-AI: An integrated ginsenoside database and AI-driven platform for multidimensional information and biological activity prediction
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Compound Information
ID 631
TrivialName Ginsenoside compound Y
Type PPD
MF C₄₁H₇₀O₁₂
MolecularWeight 754.999
IUPACName (2S,3R,4S,5S,6R)-2-[(2S)-2-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-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]-6-methylhept-5-en-2-yl]oxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
m/z NT
Retention Time NT
CCS NT
Adducts NT
Isomeric SMILES O[C@H]1CC[C@@]2(C)C(CC[C@]3(C)C2C[C@@H](O)C4[C@@]3(C)CCC4C(CC/C=C(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)C)C1(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)C3CCC12C
Source PG
Functions anti-photoagaing, anti-melanogenesis
Year 2017
References

Lee et al. (2017)

Structure Ginsenoside compound Y