Thiocolchicoside
N-[(7S)-1,2-dimethoxy-10-methylsulfanyl-9-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
Molecular Identity
Thiocolchicoside
N-[(7S)-1,2-dimethoxy-10-methylsulfanyl-9-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
PubChem CID: 9915886
N-[(7S)-1,2-dimethoxy-10-(methylthio)-9-oxo-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide is a glycoside.
2D Structure
Properties
C27H33NO10S
Molecular Formula
563.60
Molecular Weight
g/mol
563.1825
Exact Mass
Da
-0.4
XLogP
Drug-like (Lipinski: < 5)
189
TPSA
May have limited oral absorption
5
H-Bond Donors
11
H-Bond Acceptors
1010
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Thiocolchicoside602-41-5ColtramylMiorelMusco-rilTiocolchicosidoColtraxTiocolchicosideThiocolchicosidumDTXSID5045330T1X8S697GTNSC-1477552-10-Di(demethoxy)-2-glucosyloxy-10-methylthiocolchicineDTXCID3025330RefChem:189467
Data from PubChem (NCBI)
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