MetaADEDB 2.0 @ LMMD
ptaquiloside
(GPHSJPVUEZFIDE-YVPLJZHISA-N)
Structure
SMILES
OC[C@H]1O[C@@H](O[C@]23C[C@H](C(=O)[C@@H]3[C@](C3(C(=C2)C)CC3)(C)O)C)[C@@H]([C@H]([C@@H]1O)O)O
Molecular Formula:
C20H30O8
Molecular Weight:
398.447
Log P:
-0.7421
Hydrogen Bond Acceptor:
8
Hydrogen Bond Donor:
5
TPSA:
136.68
CAS Number(s):
87625-62-5
Synonym(s)
1.
ptaquiloside
2.
aquilide A
3.
braxin C
External Link(s)
MeSHC043680
PubChem Compound13962857
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Stomach Neoplasms22143989CTD
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