GinDB-AI: An integrated ginsenoside database and AI-driven platform for multidimensional information and biological activity prediction
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Compound Information
ID 743
TrivialName Vinaginsenoside R15
Type PPT
MF C₄₂H₇₂O15
MolecularWeight 817.023
IUPACName 2-[[3,12-dihydroxy-17-[(E)-6-hydroxy-6-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-4-en-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]-6-(hydroxymethyl)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([C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)C[C@]4(C)C2C[C@@H](O)C5[C@@]4(C)CCC5C(C/C=C/C(C)(O)C)(O[C@H]6[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O6)C)C1(C)C
Canonical SMILES CC(C)(O)C=CCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O)C(O)C3O)CC12C
Source PN
Functions NT
Year 2011
References

Li-min et al. (2011)

Structure Vinaginsenoside R15