6,6'-Bis(2,3-dimethoxybenzoyl)-alpha,alpha-D-trehalose
[(2R,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6R)-6-[(2,3-dimethoxybenzoyl)oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 2,3-dimethoxybenzoate
Molecular Identity
6,6'-Bis(2,3-dimethoxybenzoyl)-alpha,alpha-D-trehalose
[(2R,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6R)-6-[(2,3-dimethoxybenzoyl)oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 2,3-dimethoxybenzoate
PubChem CID: 51003474
2D Structure
Properties
C30H38O17
Molecular Formula
670.60
Molecular Weight
g/mol
670.2109
Exact Mass
Da
-0.9
XLogP
Drug-like (Lipinski: < 5)
239
TPSA
May have limited oral absorption
6
H-Bond Donors
17
H-Bond Acceptors
925
Complexity
SMILES
Canonical SMILES
SMILES: COC1=CC=CC(=C1OC)C(=O)OCC2C(C(C(C(O2)OC3C(C(C(C(O3)COC(=O)C4=C(C(=CC=C4)OC)OC)O)O)O)O)O)OIsomeric SMILES
SMILES: COC1=CC=CC(=C1OC)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C4=C(C(=CC=C4)OC)OC)O)O)O)O)O)OSynonyms(7)
DMBT1260071-76-8orb1738379CHEMBL1668284SCHEMBL29438725GLXC-157656,6'-Bis(2,3-dimethoxybenzoyl)-alpha,alpha-D-trehalose
Data from PubChem (NCBI)
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Molecular Structure
6,6'-Bis(2,3-dimethoxybenzoyl)-alpha,alpha-D-trehalose
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Drug Network
Trials and conditions connected to 6,6'-Bis(2,3-dimethoxybenzoyl)-alpha,alpha-D-trehalose
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