Compounds

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ALA509505
Name:
25(S)-5beta-spirostane-2-beta-3beta-diol-3-O-beta-D-glucopyranosyl-(1->2)-bShow More⌵
Mol. Formula:
C39H64O14
M.W.:
756.93
6 activity values
6 unique targets
Type:
Small molecule
AlogP:
0.41
Polar Surface Area:
217.22
HBA:
14
HBD:
8
#RO5 Violations:
3
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA446926
Name:
25(R and S) schidigera-saponins F1
Mol. Formula:
C44H72O18
M.W.:
889.04
6 activity values
6 unique targets
Type:
Small molecule
AlogP:
-1.12
Polar Surface Area:
276.14
HBA:
18
HBD:
10
#RO5 Violations:
3
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA503408
Name:
25-(R,S)-5beta-spirostan-3beta-ol-12-one-3-O-beta-D-xylopyranosyl-(1->3)-[bShow More⌵
Mol. Formula:
C44H70O18
M.W.:
887.03
6 activity values
6 unique targets
Type:
Small molecule
AlogP:
-0.92
Polar Surface Area:
272.98
HBA:
18
HBD:
9
#RO5 Violations:
3
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA501493
Name:
schidigera-saponin C2
Mol. Formula:
C39H62O14
M.W.:
754.91
6 activity values
6 unique targets
Type:
Small molecule
AlogP:
0.33
Polar Surface Area:
217.22
HBA:
14
HBD:
8
#RO5 Violations:
3
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
ALA507275
Name:
schidigera-saponin C1
Mol. Formula:
C44H70O18
M.W.:
887.03
6 activity values
6 unique targets
Type:
Small molecule
AlogP:
-1.20
Polar Surface Area:
276.14
HBA:
18
HBD:
10
#RO5 Violations:
3
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.10
DETAILS
CLOSE