MetaADEDB 2.0 @ LMMD
paederosidic acid methyl ester
(JNDNZIPLLDTLQK-DILZHRMZSA-N)
Structure
SMILES
OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@@H]3[C@H]2C(=C[C@@H]3O)COC(=O)SC)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O
Molecular Formula:
C19H26O12S
Molecular Weight:
478.468
Log P:
-1.7510
Hydrogen Bond Acceptor:
13
Hydrogen Bond Donor:
5
TPSA:
206.74
CAS Number(s):
122413-01-8
Synonym(s)
1.
paederosidic acid methyl ester
External Link(s)
MeSHC543145
PubChem Compound6325269
ZINC95914171
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Arthritis, Gouty19655406CTD
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