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11 Items

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  1. ALA4570272

    Name:
    Chrysanolide E

    Mol. Formula:
    C35H46O9

    M.W.:
    610.74

    Type:
    Unknown

    AlogP:
    3.41

    Polar Surface Area:
    139.59

    HBA:
    9

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  2. ALA4543128

    Name:
    Chrysanolide F

    Mol. Formula:
    C15H22O4

    M.W.:
    266.34

    Type:
    Unknown

    AlogP:
    1.26

    Polar Surface Area:
    66.76

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  3. ALA4483468

    Name:
    8'-Tigloylchrysanolide D

    Mol. Formula:
    C35H44O9

    M.W.:
    608.73

    Type:
    Unknown

    AlogP:
    3.33

    Polar Surface Area:
    139.59

    HBA:
    9

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  4. ALA4473967

    Name:
    8-Tigloylchrysanolide F

    Mol. Formula:
    C20H28O5

    M.W.:
    348.44

    Type:
    Unknown

    AlogP:
    2.78

    Polar Surface Area:
    72.83

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  5. ALA4471026

    Name:
    Chrysanolide D

    Mol. Formula:
    C30H38O7

    M.W.:
    510.63

    Type:
    Unknown

    AlogP:
    2.84

    Polar Surface Area:
    113.29

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  6. ALA4457414

    Name:
    8-Angeloylchrysanolide H

    Mol. Formula:
    C20H26O6

    M.W.:
    362.42

    Type:
    Unknown

    AlogP:
    2.10

    Polar Surface Area:
    89.90

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  7. ALA4446797

    Name:
    8,8'-Ditigloylchrysanolide D

    Mol. Formula:
    C40H50O10

    M.W.:
    690.83

    Type:
    Unknown

    AlogP:
    4.84

    Polar Surface Area:
    145.66

    HBA:
    10

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  8. ALA4438302

    Name:
    Chrysanolide H

    Mol. Formula:
    C20H26O6

    M.W.:
    362.42

    Type:
    Unknown

    AlogP:
    2.10

    Polar Surface Area:
    89.90

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  9. ALA4436446

    Name:
    8-Angeloyl-8'-hydroxychrysanolide D

    Mol. Formula:
    C35H44O9

    M.W.:
    608.73

    Type:
    Unknown

    AlogP:
    3.33

    Polar Surface Area:
    139.59

    HBA:
    9

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  10. ALA4435788

    Name:
    Chrysanolide G

    Mol. Formula:
    C20H26O5

    M.W.:
    346.42

    Type:
    Unknown

    AlogP:
    2.70

    Polar Surface Area:
    72.83

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  11. ALA4435216

    Name:
    8-Tigloylchrysanolide D

    Mol. Formula:
    C35H44O8

    M.W.:
    592.73

    Type:
    Unknown

    AlogP:
    4.35

    Polar Surface Area:
    119.36

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
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