Desacetyl asperulosidic acid
5-hydroxy-7-(hydroxymethyl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid
Molecular Identity
Desacetyl asperulosidic acid
5-hydroxy-7-(hydroxymethyl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid
PubChem CID: 12315348
2D Structure
Properties
C16H22O11
Molecular Formula
390.34
Molecular Weight
g/mol
390.1162
Exact Mass
Da
-3.8
XLogP
Drug-like (Lipinski: < 5)
186
TPSA
May have limited oral absorption
7
H-Bond Donors
11
H-Bond Acceptors
632
Complexity
SMILES
Canonical SMILES
SMILES: C1=C(C2C(C1O)C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)O)COIsomeric SMILES
SMILES: C1=C(C2C(C1O)C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)O)COSynonyms(4)
DESACETYL ASPERULOSIDIC ACIDDeacetylasperulosidic acid [M+H]+TAA84299E0671
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Desacetyl asperulosidic acid
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