Table 1 Druglikeness of quercetin derivatives with high positive score

Quercetin 3,7-di-O-α-L-rhamnoside

C₂₇H₃₀O₁₅

594.16

15

9

− 1.13

195.34

531.93

0.78

Quercetin 3-O-rhamnoside-7-O-glucoside

C₂₇ H₃₀ O₁₆

610.15

16

10

− 1.99

212.65

539.15

0.78

Quercetin 3-O-[β-D-xylosyl-(1→2)-β-D-glucoside]

C₂₆ H₂₈ O₁₆

596.14

16

10

− 1.61

214.98

518.37

0.90

Quercetin 7-O-β-L-rhamnopyranoside

C₂₁ H₂₀ O₁₁

448.10

11

7

− 0.26

147.54

406.18

0.83

Quercetin 3-O-β-L-fucopyranoside

C₂₁ H₂₀ O₁₁

448.10

11

7

0.32

150.41

407.46

0.82

Quercetin 3-O-β-D-glucopyranosyl-7-O-α-L-rhamnopyranoside

C₂₇ H₃₀ O₁₆

610.15

16

10

− 1.99

212.65

539.15

0.78

Quercetin 3-O-α-(6”'-caffeoylglucosyl-β-1,2-rhamnoside)

C₃₆ H₃₆ O₁₉

772.19

19

11

0.98

250.40

699.90

0.90

Quercetin 3-(6”-p-hydroxybenzoylgalactoside)

C₂₈ H₂₄ O₁₄

584.12

14

8

1.40

189.07

524.25

0.83

Quercetin 3-O-(2”,3”-digalloyl)-β-D-galactopyranoside

C₃₅ H₂₈ O₂₀

768.12

20

12

1.00

273.40

680.77

1.01

Quercetin 3-O-β-D-glucopyranosyl-(1→2)-rhamnopyranoside

C₂₇ H₃₀ O₁₆

610.15

16

10

− 1.15

214.15

533.87

0.88

Quercetin 3-O-α-L-[6”'-p-coumaroyl-β-D-glucopyranosyl-(1→2)-rhamnopyranoside]

C₃₆ H₃₆ O₁₈

756.19

18

10

1.36

234.92

687.18

0.89

Quercetin 3-O-α-L-rhamnopyranosyl-(1→2)-α-L-arabinopyranoside

C₂₆ H₂₆ O₁₅

580.14

15

9

− 0.92

197.67

511.15

1.05

Quercitrin

C₂₁ H₂₀ O₁₁

448.10

11

7

0.32

150.41

407.46

0.82

Quercetin 3-O-α-L-[6”'-p-coumaroyl-β-D-glucopyranosyl-(1→2)-rhamnopyranoside]-7-O-β-D-glucopyranoside

C₄₂ H₄₆ O₂₃

918.24

23

13

− 0.95

297.16

818.87

0.79

Multinoside A

C₂₇ H₃₀ O₁₆

610.15

16

10

− 1.09

214.15

533.87

0.88

Rutin

C₂₇ H₃₀ O₁₆

610.15

16

10

− 1.55

213.63

533.42

0.91

Camellianoside

C₃₂ H₃₈ O₂₀

742.20

20

12

− 2.91

260.89

637.11

1.07

Hermannioside A

C₃₂ H₃₈ O₁₉

726.20

19

11

− 2.37

242.60

635.62

1.01

Quercetin 3'-isobutyrate

C₁₉ H₁₆ O₈

372.08

8

4

2.03

106.80

361.56

1.06

Quercetin 3-(2-galloylglucoside)

C₂₈ H₂₄ O₁₆

616.11

16

10

0.29

220.56

547.73

0.97

Quercetin 3-glucoside 7-xyloside

C₂₆ H₂₈ O₁₆

596.14

16

10

− 2.32

213.47

523.65

0.80

Quercetin 3-lathyroside

C₂₆ H₂₈ O₁₆

596.14

16

10

− 1.61

214.98

518.37

0.90

Quercetin 3-(6”-acetylglucoside)

C₂₃ H₂₂ O₁₃

506.11

13

7

0.08

171.83

460.42

0.80

Quercetin 3-(6”-malonylneohesperidoside)

C₃₀ H₃₂ O₁₉

696.15

19

10

− 1.42

245.96

608.70

0.86

Quercetin 3-(2-caffeoylsophoroside) 7-glucoside

C₄₂ H₄₆ O₂₅

950.23

25

15

− 2.54

330.48

838.90

0.87

Quercetin 3-O-arabinoside 7-O-rhamnoside

C₂₆ H₂₈ O₁₅

580.14

15

9

− 1.46

196.16

516.43

0.95

Quercetin 3-(3”,6”-diacetylgalactoside)

C₂₅ H₂₄ O₁₄

548.12

14

6

0.68

176.47

506.25

1.03

Quercetin 3-(2”'-p-coumarylsambubioside)-7-glucoside

C₄₁ H₄₄ O₂₃

904.23

23

13

− 1.91

298.51

803.46

1.02

Quercetin 3-[rhamnosyl-(1- > 2)-alpha-L-arabinopyranoside]

C₂₆ H₂₈ O₁₅

580.14

15

9

− 0.92

197.67

511.15

1.05

Quercetin-7-O-[α-L-rhamnopyranosyl(1→6)-β-D-galactopyranoside]

C₂₇ H₃₀ O₁₆

610.15

16

10

− 2.13

210.76

532.15

0.92

Taxifolin

C₁₅ H₁₂ O₇

304.06

7

5

0.76

103.49

268.73

1.00

5-galloylquercetin-3-O-α-L-arabinofuranoside

C₂₇ H₂₂ O₁₄

570.10

14

9

0.79

198.07

516.59

0.86

Petiolaroside

C₂₇ H₃₀ O₁₆

610.15

16

10

− 1.99

212.65

539.15

0.78

2-(3,4-dihydroxybenzoyloxy)-4,6-dihydroxybenzoic acid

C₁₄ H₁₀ O₈

306.04

8

5

1.07

116.37

268.60

1.07

Calabricoside A

C₃₂ H₃₈ O₂₀

742.20

20

12

− 3.23

259.91

642.84

1.00

Calabricoside B

C₄₁ H₄₄ O₂₃

904.23

23

13

− 1.27

296.68

808.96

1.17

Cudranian 2

C₂₈ H₂₆ O₁₃

570.14

13

9

0.74

181.22

516.03

1.06

Quercetin-3'-glucuronide

C₂₁ H₂₀ O₁₃

480.09

13

8

− 0.86

177.94

405.92

1.00

Quercetin-3-O-arabinoside

C₂₀ H₁₈ O₁₁

434.08

11

7

− 0.01

151.23

391.96

0.93

Quercetin-3-neohesperidoside-7-rhamnoside

C₃₃ H₄₀ O₂₀

756.21

20

12

− 2.60

259.09

658.34

0.84