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ALA5281194 Name:
(5-(2-Hydroxy-3-(linoleoyloxy)propoxy)-5-oxopentyl
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Mol. Formula:
C44H60BrO5P
M.W.:
779.84
Type:
---
AlogP:
9.41
Polar Surface Area:
72.83
HBA:
5
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
26
Passes Ro3:
N
QED Weighted:
0.04
DETAILS
CLOSE
ALA5279895 Name:
(((3-((octadeca-9,12-dienoyl)oxy)propane-1,2-diyl)
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Mol. Formula:
C78H114BrO9P
M.W.:
1306.64
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5279358 Name:
{5,5'-[3-Linoleoyloxyprop-1,2-diyl-dioxy]-5,5'-dio
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Mol. Formula:
C67H82Br2O6P2
M.W.:
1205.14
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5279289 Name:
{5-[2-Hydroxy-3-(3beta-hydroxylup-20(29)-en-28-ylo
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Mol. Formula:
C56H78BrO5P
M.W.:
942.11
Type:
---
AlogP:
11.09
Polar Surface Area:
75.99
HBA:
5
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
CLOSE
ALA4764807 Name:
[(2,3,4-Tri-O-acetyl-beta-D-ribopyranosyl)-1H-1,2,
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Mol. Formula:
C34H47N3O10
M.W.:
657.76
Type:
Unknown
AlogP:
4.02
Polar Surface Area:
162.21
HBA:
13
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA5266313 Name:
(5-(2-Hydroxy-3-(oleoyloxy)propoxy)-5-oxopentyl)tr
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Mol. Formula:
C44H62BrO5P
M.W.:
781.85
Type:
---
AlogP:
9.64
Polar Surface Area:
72.83
HBA:
5
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
27
Passes Ro3:
N
QED Weighted:
0.04
DETAILS
CLOSE
ALA4796164 Name:
[(2,3,4,6-Tetra-O-acetyl-beta-D-galactopyranosyl)-
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Mol. Formula:
C37H51N3O12
M.W.:
729.82
Type:
Unknown
AlogP:
3.95
Polar Surface Area:
188.51
HBA:
15
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA4557063 Name:
2-Deoxy-2-acetamido-beta-D-glucopyranosyl-16-oxo-e
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Mol. Formula:
C28H43NO8
M.W.:
521.65
Type:
Unknown
AlogP:
1.85
Polar Surface Area:
142.39
HBA:
8
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA4553867 Name:
3,4,6-Tri-O-acetyl-2-deoxy-2-acetamido-beta-D-gluc
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Mol. Formula:
C34H49NO11
M.W.:
647.76
Type:
Unknown
AlogP:
3.56
Polar Surface Area:
160.60
HBA:
11
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA4760863 Name:
[(2,3,5-Tri-O-acetyl-beta-D-ribofuranosyl)-1H-1,2,
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Mol. Formula:
C34H47N3O10
M.W.:
657.76
Type:
Unknown
AlogP:
4.02
Polar Surface Area:
162.21
HBA:
13
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA4539969 Name:
(3,4,6-Tri-O-acetyl-2-deoxy-2-acetamido-beta-D-glu
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Mol. Formula:
C40H59NO13
M.W.:
761.91
Type:
Unknown
AlogP:
4.66
Polar Surface Area:
186.90
HBA:
13
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA4532579 Name:
2,3,4,6-Tetra-O-acetyl-beta-D-glucopyranosyl-16-ox
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Mol. Formula:
C34H48O12
M.W.:
648.75
Type:
Unknown
AlogP:
3.98
Polar Surface Area:
157.80
HBA:
12
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA4513577 Name:
alpha-D-Mannopyranosyl-16-oxo-ent-beyeran-19-oate
Mol. Formula:
C26H40O8
M.W.:
480.60
Type:
Unknown
AlogP:
1.70
Polar Surface Area:
133.52
HBA:
8
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA4474882 Name:
beta-D-Galactopyranosyl-16-oxo-ent-beyeran-19-oate
Mol. Formula:
C26H40O8
M.W.:
480.60
Type:
Unknown
AlogP:
1.70
Polar Surface Area:
133.52
HBA:
8
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA4591332 Name:
beta-D-Glucopyranosyl-16-oxo-ent-beyeran-19-oate
Mol. Formula:
C26H40O8
M.W.:
480.60
Type:
Unknown
AlogP:
1.70
Polar Surface Area:
133.52
HBA:
8
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA4586226 Name:
(3,4,6-Tri-O-acetyl-2-deoxy-2-acetamido-beta-D-glu
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Mol. Formula:
C44H67NO13
M.W.:
818.01
Type:
Unknown
AlogP:
6.22
Polar Surface Area:
186.90
HBA:
13
HBD:
1
#RO5 Violations:
3
#Rotatable Bonds:
17
Passes Ro3:
N
QED Weighted:
0.10
DETAILS
CLOSE
ALA4572359 Name:
(2,3,4,6-Tetra-O-acetyl-beta-D-galactopyranosyloxo
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Mol. Formula:
C40H58O14
M.W.:
762.89
Type:
Unknown
AlogP:
5.09
Polar Surface Area:
184.10
HBA:
14
HBD:
---
#RO5 Violations:
3
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
ALA4468483 Name:
(2,3,4,6-Tetra-O-acetyl-beta-D-galactopyranosyloxo
Show More⌵
Mol. Formula:
C44H66O14
M.W.:
819.00
Type:
Unknown
AlogP:
6.65
Polar Surface Area:
184.10
HBA:
14
HBD:
---
#RO5 Violations:
3
#Rotatable Bonds:
17
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA4468112 Name:
(2,3,4,6-Tetra-O-acetyl-alpha-D-mannopyranosyloxop
Show More⌵
Mol. Formula:
C40H58O14
M.W.:
762.89
Type:
Unknown
AlogP:
5.09
Polar Surface Area:
184.10
HBA:
14
HBD:
---
#RO5 Violations:
3
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
ALA4457788 Name:
2,3,4,6-Tetra-O-acetyl-beta-D-galactopyranosyl-16-
Show More⌵
Mol. Formula:
C34H48O12
M.W.:
648.75
Type:
Unknown
AlogP:
3.98
Polar Surface Area:
157.80
HBA:
12
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
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