GinDB-AI: An integrated ginsenoside database and AI-driven platform for multidimensional information and biological activity prediction
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Compound Information
ID 332
TrivialName Notoginsenoside Rw2
Type C17-side chain varied
MF C₄₁H₇₀O₁₄
MolecularWeight 786.997000000001
IUPACName NT
m/z NT
Retention Time NT
CCS NT
Adducts NT
Isomeric SMILES CC1(C)[C@@H](O[H])CC[C@@]2(C)C1[C@@H](O[C@@H]3[C@@H](O[C@@H]4[C@@H](O)[C@H](O)[C@@H](O)CO4)[C@H](O)[C@@H](O)[C@H](CO)O3)C[C@]5(C)C2C[C@@H](O)C6[C@@]5(C)CCC6[C@](C)(/C=C/CC(C)(O)C)O[H]
Canonical SMILES CC(C)(O)CC=CC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O)CC12C
Source PN
Functions anti-myocardial ischemia
Year 2008
References

Cui et al. (2008)

Structure Notoginsenoside Rw2