GinDB-AI: An integrated ginsenoside database and AI-driven platform for multidimensional information and biological activity prediction
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Compound Information
ID 367
TrivialName Floralginsenoside Ta
Type C17-side chain varied
MF C₃₆H₆₀O₁₀
MolecularWeight 652.866
IUPACName (6S)-2-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(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-1-en-3-one
m/z NT
Retention Time NT
CCS NT
Adducts NT
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@](C)(CCC(C(C)=C)=O)O[C@H]5[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O5)C1(C)C
Canonical SMILES C=C(C)C(=O)CCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C
Source PG
Functions Anticancer
Year 2010
References

Tung et al. (2010a)

Structure Floralginsenoside Ta