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Table 4 ADMET Pharmacokinetics of detected phytoconstituents of ethanolic fruit extract of Withania coagulans (Stocks) Dunal prediction by Drulito against Lipinski rule of five and blood–brain-barrier filter

From: Improvements in HOMA indices and pancreatic endocrinal tissues in type 2-diabetic rats by DPP-4 inhibition and antioxidant potential of an ethanol fruit extract of Withania coagulans

Compound

MW

logP

AlogP

HBA

HBD

TPSA

nHB

nAcidic group

Filter L/B

Withanolide D

470.27

3.263

1.293

6

2

96.36

8

0

L

Sitoindoside IX

632.32

2.45

− 1.105

11

5

175.51

16

0

 

Withanoside IV

102.07

1.311

 − 0.73

2

1

37.3

3

1

L

Withanone

470.27

2.153

0.828

6

2

96.36

8

1

L

Withanolide B

454.27

4.118

1.539

5

1

76.13

6

0

L

Withaferine A

470.27

3.987

0.642

6

2

96.36

8

0

L

Withasomnine

184.1

2.436

0.991

2

0

15.6

2

0

L/B

Withangulatin A

526.26

1.126

0.685

8

2

122.66

10

0

 

Withacoagulin H

468.25

1.903

1.021

6

3

104.06

9

0

L

Withanolide E

486.23

1.363

0.444

7

3

116.59

10

0

L

  1. MW, molecular weight; logP, partition coefficient; AlogP, octanol–water partition coefficient; HBA, hydrogen bond acceptor; HBD, hydrogen bond donor; TPSA, total polar surface area; nHB, number of hydrogen bond; nAcidic group, number of acidic group; Filter L, Lipinski rule of five and B, blood brain barrier
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Nutrition & Metabolism

ISSN: 1743-7075

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