Details of the Drug
General Information of Drug (ID: DMWGN3F)
Drug Name |
1,2,6-tri-O-galloyl-beta-D-glucose
|
|||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Synonyms |
AC1L3XRG; 1,2,6-Tri-O-galloyl-.beta.-D-glucose; 1,2,6-Tri-O-galloyl-.beta.-D-glucopyranose; .beta.-D-Glucopyranose, 1,2,6-tris(3,4,5-trihydroxybenzoate); [(5R)-4,5-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-4-[(3,4,5-trihydroxybenzoyl)oxymethyl]tetrahydrofuran-2-yl]methyl 3,4,5-trihydroxybenzoate; [(5R)-4,5-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-4-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxolan-2-yl]methyl 3,4,5-trihydroxybenzoate
|
|||||||||||||||||||
Indication |
|
|||||||||||||||||||
Drug Type |
Small molecular drug
|
|||||||||||||||||||
Structure | ||||||||||||||||||||
3D MOL | 2D MOL | |||||||||||||||||||
#Ro5 Violations (Lipinski): 4 | Molecular Weight (mw) | 636.5 | ||||||||||||||||||
Topological Polar Surface Area (xlogp) | 0.1 | |||||||||||||||||||
Rotatable Bond Count (rotbonds) | 11 | |||||||||||||||||||
Hydrogen Bond Donor Count (hbonddonor) | 11 | |||||||||||||||||||
Hydrogen Bond Acceptor Count (hbondacc) | 18 | |||||||||||||||||||
Chemical Identifiers |
|
|||||||||||||||||||
Cross-matching ID | ||||||||||||||||||||
Molecular Interaction Atlas of This Drug
Drug Therapeutic Target (DTT) |
|
||||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Molecular Interaction Atlas (MIA) | |||||||||||||||||||||||||||
Molecular Expression Atlas of This Drug
The Studied Disease | Discovery agent | |||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
ICD Disease Classification | N.A. | |||||||||||||||||||||||
|
||||||||||||||||||||||||
Molecular Expression Atlas (MEA) | ||||||||||||||||||||||||
References