Compounds

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ALA1770695
Name:
6''-O-galloylsalidroside
Mol. Formula:
C21H24O11
M.W.:
452.41
8 activity values
2 unique targets
Type:
Small molecule
AlogP:
-0.27
Polar Surface Area:
186.37
HBA:
11
HBD:
7
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.22
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ALA1770694
Name:
iso-dihydrodendranthemoside A
Mol. Formula:
C19H36O8
M.W.:
392.49
8 activity values
2 unique targets
Type:
Small molecule
AlogP:
-0.48
Polar Surface Area:
139.84
HBA:
8
HBD:
6
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.36
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ALA1770693
Name:
(4R)-p-menth-1-ene-7,8-diol-7-O-[beta-D-xylopyranosyl-(1->6)-beta-D-glucopyShow More⌵
Mol. Formula:
C21H36O11
M.W.:
464.51
8 activity values
2 unique targets
Type:
Small molecule
AlogP:
-2.24
Polar Surface Area:
178.53
HBA:
11
HBD:
7
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.20
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ALA1770692
Name:
(1R,2R,4S)-p-menthane-1,2,8-triol-1-O-beta-D-glucopyranoside
Mol. Formula:
C16H30O8
M.W.:
350.41
8 activity values
2 unique targets
Type:
Small molecule
AlogP:
-1.51
Polar Surface Area:
139.84
HBA:
8
HBD:
6
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
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