ALA2272087Name:
1,3,4,6-tetra-O-acetyl-2-deoxy-2-N,N,Ndimethylhexylamino-D-glucoseMol. Formula:
C22H36NO9+M.W.:
458.53Type:
Small moleculeAlogP:
1.48Polar Surface Area:
114.43HBA:
9HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.32DETAILS
ALA2272086Name:
1,3,4,5-tetra-O-acetyl-2-deoxy-2-N-hexylamino-D-glucoseMol. Formula:
C20H31NO9M.W.:
429.47Type:
Small moleculeAlogP:
0.99Polar Surface Area:
126.46HBA:
10HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.46DETAILS
ALA2272085Name:
N,N-dimethyl-N-ethylamino-2-deoxy-2-D-glucose sulfateMol. Formula:
C10H23NO9SM.W.:
333.36Type:
Small moleculeAlogP:
-2.12Polar Surface Area:
90.15HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.42DETAILS
Type:
Small moleculeAlogP:
-2.60Polar Surface Area:
102.18HBA:
6HBD:
5#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.35DETAILS
ALA2272083Name:
1,3,4,6-tetra-O-acetyl-2-deoxy-2-N,N,N-dimethylethylamino-D-glucoseMol. Formula:
C18H30NO9+M.W.:
404.44Type:
Small moleculeAlogP:
0.17Polar Surface Area:
114.43HBA:
9HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.33DETAILS- ALA2272082
Name:
1,3,4,5-tetra-O-acetyl-2-deoxy-2-Nethylamino-D-glucoseMol. Formula:
C16H25NO9M.W.:
375.37Type:
Small moleculeAlogP:
-0.32Polar Surface Area:
126.46HBA:
10HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.47DETAILS - ALA2272081
Name:
1,3,4,6-tetra-O-acetyl-2-deoxy-2-N,N,Ntrimethylamino-D-glucoseMol. Formula:
C17H28NO9+M.W.:
390.41Type:
Small moleculeAlogP:
-0.22Polar Surface Area:
114.43HBA:
9HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.34DETAILS - ALA2268521
Name:
1,3,4,5-tetra-O-acetyl-2-deoxy-2-N,N-dimethylamino-D-glucoseMol. Formula:
C16H25NO9M.W.:
375.37Type:
Small moleculeAlogP:
-0.37Polar Surface Area:
117.67HBA:
10HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.45DETAILS - ALA2272080
Name:
(2R,3R,4S,5S,6R)-6-(aminomethyl)tetrahydro-2H-pyran-2,3,4,5-tetraolMol. Formula:
C6H13NO5M.W.:
179.17Type:
Small moleculeAlogP:
-3.25Polar Surface Area:
116.17HBA:
6HBD:
5#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.29DETAILS - ALA2272079
Name:
(3R,4S,5S,6R)-4-amino-6-(hydroxymethyl)tetrahydro-2H-pyran-2,3,5-triolMol. Formula:
C6H13NO5M.W.:
179.17Type:
Small moleculeAlogP:
-3.25Polar Surface Area:
116.17HBA:
6HBD:
5#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.29DETAILS - (2R，3R，4S，5S，6R)-2-Amino-6-(hydroxymethyl)tetrahydro-2H-pyran-3，4，5-triol
Name:
(2R,3R,4S,5S,6R)-2-amino-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triolMol. Formula:
C6H13NO5M.W.:
179.17Type:
Small moleculeAlogP:
-3.26Polar Surface Area:
116.17HBA:
6HBD:
5#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.29DETAILS
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