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  1. ALA2253068

    Name:
    5,7-dihydroxy-3-methoxy-6-C-methylflavone 8,4'-di-O-beta-D-glucopyranoside

    Mol. Formula:
    C29H34O17

    M.W.:
    654.57

    Type:
    Small molecule

    AlogP:
    -2.45

    Polar Surface Area:
    278.66

    HBA:
    17

    HBD:
    10

    #RO5 Violations:
    3

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  2. ALA2253067

    Name:
    gleditschiaside A

    Mol. Formula:
    C21H28O11

    M.W.:
    456.44

    Type:
    Small molecule

    AlogP:
    -2.11

    Polar Surface Area:
    175.37

    HBA:
    11

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  3. ALA2253066

    Name:
    massonianoside B

    Mol. Formula:
    C25H32O10

    M.W.:
    492.52

    Type:
    Small molecule

    AlogP:
    0.74

    Polar Surface Area:
    158.30

    HBA:
    10

    HBD:
    6

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  4. ALA2253065

    Name:
    5,7,8,4'-tetrahydroxy-3-methoxy-6-methylflavone 8-O-beta-D-glucopyranoside

    Mol. Formula:
    C23H24O12

    M.W.:
    492.43

    Type:
    Small molecule

    AlogP:
    0.07

    Polar Surface Area:
    199.51

    HBA:
    12

    HBD:
    7

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
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