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  1. ALA5267315

    Name:
    Schekwangsienoside VI

    Mol. Formula:
    C64H104O27

    M.W.:
    1305.51

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  2. ALA5266804

    Name:
    (2S,3R,4S,5S,6R)-2-{[(2R,3R,4S,5S,6R)-2-{[(1R,2R,3aR,3bR,5aR,7S,9aR,9bR,11aShow More

    Mol. Formula:
    C48H82O19

    M.W.:
    963.17

    Type:
    ---

    AlogP:
    -0.96

    Polar Surface Area:
    307.37

    HBA:
    19

    HBD:
    12

    #RO5 Violations:
    3

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.10

    DETAILS
  3. ALA5266229

    Name:
    (4S,6aR,7aS,9aS,10S,13S,14aR,15R,15aS,15bR)-9a-(hydroxymethyl)-13-(2-hydroxShow More

    Mol. Formula:
    C37H58O11

    M.W.:
    678.86

    Type:
    ---

    AlogP:
    2.81

    Polar Surface Area:
    164.37

    HBA:
    11

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  4. ALA5265937

    Name:
    Boscartene G

    Mol. Formula:
    C30H44O4

    M.W.:
    468.68

    Type:
    ---

    AlogP:
    6.03

    Polar Surface Area:
    63.60

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  5. ALA5281146

    Name:
    Boscartene D

    Mol. Formula:
    C30H44O4

    M.W.:
    468.68

    Type:
    ---

    AlogP:
    6.93

    Polar Surface Area:
    71.44

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  6. ALA5278271

    Name:
    Schekwangsienoside Ib

    Mol. Formula:
    C63H102O27

    M.W.:
    1291.48

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  7. ALA5278157

    Name:
    Schekwangsienoside VIII

    Mol. Formula:
    C49H78O18

    M.W.:
    955.14

    Type:
    ---

    AlogP:
    1.92

    Polar Surface Area:
    280.82

    HBA:
    17

    HBD:
    9

    #RO5 Violations:
    3

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  8. ALA5277781

    Name:
    Schekwanglupaside B

    Mol. Formula:
    C43H68O13

    M.W.:
    793.00

    Type:
    ---

    AlogP:
    3.38

    Polar Surface Area:
    201.67

    HBA:
    13

    HBD:
    6

    #RO5 Violations:
    3

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  9. ALA5277467

    Name:
    Schekwangsienoside III

    Mol. Formula:
    C64H102O29

    M.W.:
    1335.49

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  10. ALA5276710

    Name:
    (2S,3R,4S,5S,6R)-2-{[(2R,3R,4S,5S,6R)-2-{[(1R,2R,3aR,3bR,5aR,7S,9aR,9bR,11aShow More

    Mol. Formula:
    C47H80O19

    M.W.:
    949.14

    Type:
    ---

    AlogP:
    -1.21

    Polar Surface Area:
    307.37

    HBA:
    19

    HBD:
    12

    #RO5 Violations:
    3

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
  11. ALA5276649

    Name:
    Schekwangsienin

    Mol. Formula:
    C30H44O4

    M.W.:
    468.68

    Type:
    ---

    AlogP:
    6.19

    Polar Surface Area:
    74.60

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  12. ALA5275851

    Name:
    (2S,3R,4S,5S,6R)-2-{[(2R,3R,4S,5S,6R)-2-{[(1R,2R,3aR,3bR,5aR,7S,9aR,9bR,11aShow More

    Mol. Formula:
    C41H70O14

    M.W.:
    787.00

    Type:
    ---

    AlogP:
    0.97

    Polar Surface Area:
    228.22

    HBA:
    14

    HBD:
    9

    #RO5 Violations:
    3

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  13. ALA5275702

    Name:
    Lucidone B

    Mol. Formula:
    C24H32O5

    M.W.:
    400.52

    Type:
    ---

    AlogP:
    3.22

    Polar Surface Area:
    88.51

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  14. ALA5275049

    Name:
    Ganoderenic acid B

    Mol. Formula:
    C30H42O7

    M.W.:
    514.66

    Type:
    ---

    AlogP:
    4.05

    Polar Surface Area:
    128.97

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  15. ALA5274955

    Name:
    (4S,6aR,7aS,9aS,10S,13S,14aR,15R,15aS,15bR)-4-hydroxy-9a-(hydroxymethyl)-13Show More

    Mol. Formula:
    C32H50O7

    M.W.:
    546.75

    Type:
    ---

    AlogP:
    4.35

    Polar Surface Area:
    105.45

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  16. ALA5273561

    Name:
    Schekwangsienoside IIA

    Mol. Formula:
    C62H100O27

    M.W.:
    1277.46

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  17. ALA5273097

    Name:
    Betulinic acid 3beta-O-beta-D-xylopyranosyl-(1->2)- beta-D-(6-O-ethylglucurShow More

    Mol. Formula:
    C43H68O13

    M.W.:
    793.00

    Type:
    ---

    AlogP:
    3.95

    Polar Surface Area:
    201.67

    HBA:
    12

    HBD:
    6

    #RO5 Violations:
    3

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  18. ALA5291152

    Name:
    (2S,3R,4S,5S,6R)-2-{[(2R,3R,4S,5S,6R)-2-{[(1R,2R,3aR,3bR,5aR,7S,9aR,9bR,11aShow More

    Mol. Formula:
    C42H72O14

    M.W.:
    801.02

    Type:
    ---

    AlogP:
    1.22

    Polar Surface Area:
    228.22

    HBA:
    14

    HBD:
    9

    #RO5 Violations:
    3

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  19. ALA5290657

    Name:
    3beta-O-[alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranosyl-(1->2)-beta-DShow More

    Mol. Formula:
    C48H76O18

    M.W.:
    941.12

    Type:
    ---

    AlogP:
    1.83

    Polar Surface Area:
    291.82

    HBA:
    16

    HBD:
    10

    #RO5 Violations:
    3

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  20. ALA5287495

    Name:
    Ganoderenic acid AM1

    Mol. Formula:
    C30H40O7

    M.W.:
    512.64

    Type:
    ---

    AlogP:
    4.40

    Polar Surface Area:
    125.81

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
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