Compounds

ALA4538166

Name:
(6S,9R)-vomifoliol-9-O-beta-D-apiofuranosyl-(1''->
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Mol. Formula:
C24H38O12

M.W.:
518.56

1 activity values

1 unique targets

Type:
Unknown

AlogP:
-2.11

Polar Surface Area:
195.60

HBA:
12

HBD:
7

#RO5 Violations:
3

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4538119

Name:
(6S,9R)-9-hydroxy-4,7-megastigmadien-3-one-9-O-(be
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Mol. Formula:
C24H38O11

M.W.:
502.56

1 activity values

1 unique targets

Type:
Unknown

AlogP:
-1.23

Polar Surface Area:
175.37

HBA:
11

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4555921

Name:
Arclyside B

Mol. Formula:
C19H26O10

M.W.:
414.41

1 activity values

1 unique targets

Type:
Unknown

AlogP:
-0.83

Polar Surface Area:
162.98

HBA:
9

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4549201

Name:
Polygalatenoside E

Mol. Formula:
C22H32O13

M.W.:
504.49

1 activity values

1 unique targets

Type:
Unknown

AlogP:
-2.65

Polar Surface Area:
196.99

HBA:
13

HBD:
7

#RO5 Violations:
3

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA5282251

Name:
1,4-Dideoxy-1,4-[(R)-[5-deoxy-1,3-O-(m-chloropheny
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Mol. Formula:
C17H24Cl2O7S

M.W.:
443.35

Type:
---

AlogP:
-0.81

Polar Surface Area:
119.61

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5282029

Name:
1,4-Dideoxy-1,4-[(R)-[5-deoxy-1,3-O-(o-fluoropheny
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Mol. Formula:
C17H24ClFO7S

M.W.:
426.89

Type:
---

AlogP:
-1.32

Polar Surface Area:
119.61

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5281867

Name:
1,4-Dideoxy-1,4-[(R)-(5-deoxy-1,3-O-(p-nitrophenyl
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Mol. Formula:
C17H25ClNO9S+

M.W.:
454.91

Type:
---

AlogP:
-1.55

Polar Surface Area:
162.75

HBA:
9

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA5278586

Name:
1,4-Dideoxy-1,4-[(R)-[5-deoxy-1,3-O-(p-fluoropheny
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Mol. Formula:
C17H24ClFO7S

M.W.:
426.89

Type:
---

AlogP:
-1.32

Polar Surface Area:
119.61

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5290456

Name:
1,4-Dideoxy-1,4-[(R)-(5-deoxy-1,3-O-(m-nitrophenyl
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Mol. Formula:
C17H25ClNO9S+

M.W.:
454.91

Type:
---

AlogP:
-1.55

Polar Surface Area:
162.75

HBA:
9

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4461067

Name:
Alangilignoside C

Mol. Formula:
C28H38O13

M.W.:
582.60

1 activity values

1 unique targets

Type:
Unknown

AlogP:
0.50

Polar Surface Area:
185.99

HBA:
13

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4459465

Name:
Polystachyol

Mol. Formula:
C22H28O8

M.W.:
420.46

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.04

Polar Surface Area:
117.84

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5284194

Name:
1,4-Dideoxy-1,4-[(R)-[5-deoxy-1,3-O-(p-chloropheny
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Mol. Formula:
C17H24Cl2O7S

M.W.:
443.35

Type:
---

AlogP:
-0.81

Polar Surface Area:
119.61

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5283777

Name:
1,4-Didexoy-1,4-[(R)-(5-deoxy-1,3-O-phenylmethylen
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Mol. Formula:
C17H25ClO7S

M.W.:
408.90

Type:
---

AlogP:
-1.46

Polar Surface Area:
119.61

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5277322

Name:
1,4-Dideoxy-1,4-[(R)-(5-deoxy-1,3-O-[m-(trifluorom
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Mol. Formula:
C18H24ClF3O7S

M.W.:
476.90

Type:
---

AlogP:
-0.44

Polar Surface Area:
119.61

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5276620

Name:
1,4-Dideoxy-1,4-[(R)-[5-deoxy-1,3-O-(m-fluoropheny
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Mol. Formula:
C17H24ClFO7S

M.W.:
426.89

Type:
---

AlogP:
-1.32

Polar Surface Area:
119.61

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5276586

Name:
1,4-Dideoxy-1,4-[(R)-(5-deoxy-1,3-O-(o-nitrophenyl
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Mol. Formula:
C17H25ClNO9S+

M.W.:
454.91

Type:
---

AlogP:
-1.55

Polar Surface Area:
162.75

HBA:
9

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA5274943

Name:
Neoponkoranol

Mol. Formula:
C11H23O8S+

M.W.:
315.36

Type:
---

AlogP:
-4.86

Polar Surface Area:
161.84

HBA:
8

HBD:
8

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA5270662

Name:
1,4-Dideoxy-1,4-[(R)-(5-deoxy-1,3-O-[p-(trifluorom
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Mol. Formula:
C18H24ClF3O7S

M.W.:
476.90

Type:
---

AlogP:
-0.44

Polar Surface Area:
119.61

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5269400

Name:
1,4-Dideoxy-1,4-[(R)-(5-deoxy-1,3-O-[o-(trifluorom
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Mol. Formula:
C18H24ClF3O7S

M.W.:
476.90

Type:
---

AlogP:
-0.44

Polar Surface Area:
119.61

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5268739

Name:
1,4-Dideoxy-1,4-[(R)-[5-deoxy-1,3-O-(o-chloropheny
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Mol. Formula:
C17H24Cl2O7S

M.W.:
443.35

Type:
---

AlogP:
-0.81

Polar Surface Area:
119.61

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.40

DETAILS