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  1. ALA4572293

    Name:
    Ethyl (E)-2-(4-chloro-3-(2-nitrovinyl)phenoxy)-2-m
    Show More

    Mol. Formula:
    C14H16ClNO5

    M.W.:
    313.74

    Type:
    Unknown

    AlogP:
    3.31

    Polar Surface Area:
    78.67

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  2. ALA4581780

    Name:
    Ethyl (E)-2-(4-chloro-2-(2-nitrovinyl)phenoxy)-2-m
    Show More

    Mol. Formula:
    C14H16ClNO5

    M.W.:
    313.74

    Type:
    Unknown

    AlogP:
    3.31

    Polar Surface Area:
    78.67

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  3. ALA5282061

    Name:
    Lupinoside PA1

    Mol. Formula:
    C53H86O23

    M.W.:
    1091.25

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  4. ALA5281015

    Name:
    7-(3,4-dihydroxyphenyl)-1-(4-hydroxy-3-methoxyphen
    Show More

    Mol. Formula:
    C20H24O5

    M.W.:
    344.41

    Type:
    ---

    AlogP:
    3.73

    Polar Surface Area:
    86.99

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  5. ALA5278578

    Name:
    3-O-alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyr
    Show More

    Mol. Formula:
    C60H98O28

    M.W.:
    1267.42

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  6. ALA5287484

    Name:
    Akebia saponin D

    Mol. Formula:
    C47H76O18

    M.W.:
    929.11

    Type:
    ---

    AlogP:
    -0.25

    Polar Surface Area:
    294.98

    HBA:
    18

    HBD:
    11

    #RO5 Violations:
    3

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
  7. ALA5287257

    Name:
    22beta-acetoxyglycyrrhizin

    Mol. Formula:
    C44H64O18

    M.W.:
    880.98

    Type:
    ---

    AlogP:
    1.79

    Polar Surface Area:
    293.34

    HBA:
    15

    HBD:
    8

    #RO5 Violations:
    3

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  8. ALA5285494

    Name:
    Chikusetsusaponin IV

    Mol. Formula:
    C47H74O18

    M.W.:
    927.09

    Type:
    ---

    AlogP:
    0.87

    Polar Surface Area:
    291.82

    HBA:
    17

    HBD:
    10

    #RO5 Violations:
    3

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  9. ALA5285384

    Name:
    (R)-1-(4-hydroxy-3,5-dimethoxyphenyl)-7-(3,4,5-tri
    Show More

    Mol. Formula:
    C23H30O8

    M.W.:
    434.49

    Type:
    ---

    AlogP:
    3.80

    Polar Surface Area:
    125.68

    HBA:
    8

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  10. ALA5289066

    Name:
    Lupinoside PA4

    Mol. Formula:
    C54H88O22

    M.W.:
    1089.28

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  11. ALA5288671

    Name:
    3-O-alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyr
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    Mol. Formula:
    C54H88O23

    M.W.:
    1105.28

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  12. ALA5282884

    Name:
    Dehydrosoyasaponin I

    Mol. Formula:
    C48H76O18

    M.W.:
    941.12

    Type:
    ---

    AlogP:
    0.91

    Polar Surface Area:
    291.82

    HBA:
    17

    HBD:
    10

    #RO5 Violations:
    3

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
  13. ALA5277227

    Name:
    Kleinhospitine D

    Mol. Formula:
    C30H37NO4

    M.W.:
    475.63

    Type:
    ---

    AlogP:
    5.03

    Polar Surface Area:
    72.47

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  14. ALA5276551

    Name:
    Licorice-saponin G2

    Mol. Formula:
    C42H62O17

    M.W.:
    838.94

    Type:
    ---

    AlogP:
    1.22

    Polar Surface Area:
    287.27

    HBA:
    14

    HBD:
    9

    #RO5 Violations:
    3

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  15. ALA5274731

    Name:
    Macedonoside A

    Mol. Formula:
    C42H62O16

    M.W.:
    822.94

    Type:
    ---

    AlogP:
    2.25

    Polar Surface Area:
    267.04

    HBA:
    13

    HBD:
    8

    #RO5 Violations:
    3

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  16. ALA5270135

    Name:
    Astragaloside VIII

    Mol. Formula:
    C47H76O17

    M.W.:
    913.11

    Type:
    ---

    AlogP:
    1.34

    Polar Surface Area:
    274.75

    HBA:
    16

    HBD:
    10

    #RO5 Violations:
    3

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  17. ALA5268935

    Name:
    Wistariasaponin YC1

    Mol. Formula:
    C53H86O22

    M.W.:
    1075.25

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  18. ALA5268018

    Name:
    Kleinhospitine B

    Mol. Formula:
    C30H37NO4

    M.W.:
    475.63

    Type:
    ---

    AlogP:
    5.03

    Polar Surface Area:
    72.47

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  19. ALA5267673

    Name:
    Comploside II

    Mol. Formula:
    C54H88O23

    M.W.:
    1105.28

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  20. ALA5266708

    Name:
    Subproside V

    Mol. Formula:
    C54H88O24

    M.W.:
    1121.27

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
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