Chemical Library : Dataset Browser

BIMP_ID	Name	Mol Weight	LogP	HBD	HBA	TPSA	Rotatable Bonds
BIMP036026	(4S,4aS,8aR)-1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,5,8,8a-octahydronaphthalene	206.37	5	0	0	0	1
BIMP036027	Orsellinic acid 2-O-beta-D-glucoside	330.29	-0.7	6	9	156.91	4
BIMP036028	31-Nordehydrolanosterol	396.60	7.7	1	1	20.23	4
BIMP036029	(3S,8S,10R,13S)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol	274.40	5.3	1	1	20.23	0
BIMP036030	Violaxanthin linoleate linolenate	1123.70	23.8	0	6	77.66	41
BIMP036031	6'-Hydroxylutein	584.90	9.9	3	3	60.69	10
BIMP036032	8-Demethylthymonin	348.30	2	4	8	125.68	3
BIMP036033	Furost-5-ene-3beta,22,26-triol	418.60	4.2	3	4	69.92	4
BIMP036034	Cyanidin 3-O-alpha-L-arabinoside	419.40		7	9	171.37	4
BIMP036035	Malvidin 3-alpha-L-galactoside	487.50		6	9	160.37	6
BIMP036036	Kaempferol 3-rhamnosyl-(6''-acetyl)galactoside 7-rhamnoside	782.70	-1.7	10	20	314.19	10
BIMP036037	alpha-3-Oxo-damascone	206.28	1.9	0	2	34.14	2
BIMP036038	Brevilagin I	816.50	-3.5	11	24	405.24	1
BIMP036039	Malvidin 3-caffeoyl-glucoside	649.60		7	12	206.9	10
BIMP036040	Malvidin 3-chlorogenic acid glucoside	823.80		10	17	293.89	13
BIMP036041	(-)-trans-Isomenth-5-en-2-ol	154.25	2.6	1	1	20.23	1
BIMP036042	5-Chloro-2-hydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one beta-D-glucopyranoside	391.76	-0.7	5	9	146.94	4
BIMP036043	1-(4-O-beta-D-glucopyranosyl-3-methoxyphenyl)-3,5-dihydroxydecane	454.60	4.6	4	7	108.61	13
BIMP036044	Methyl-[12]-gingerol	392.60	6.7	1	4	55.76	17
BIMP036045	(3S,5S,10S,13R,14R,17R)-4,10,13,14-tetramethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,6,7,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol	414.70	9	1	1	20.23	5
BIMP036046	4alpha-Methylzymostenol	400.70	8.4	1	1	20.23	5
BIMP036047	Isopropyl propyl trisulfide	196.40	3.6	0	3	75.9	6
BIMP036048	Quercetin 3-O-sophoroside 7-O-glucuronide	802.60	-2.8	14	23	385.88	10
BIMP036049	(11S,13)-Dihydro-8-deoxylactucin	262.30	0.4	1	4	63.6	1
BIMP036050	Lactupicrin methyl ester	456.50	0.8	3	8	130.36	8

BIMP036026

(4S,4aS,8aR)-1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,5,8,8a-octahydronaphthalene

206.37

5

0

1

BIMP036027

Orsellinic acid 2-O-beta-D-glucoside

330.29

-0.7

6

9

156.91

4

BIMP036028

31-Nordehydrolanosterol

396.60

7.7

1

20.23

4

BIMP036029

(3S,8S,10R,13S)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

274.40

5.3

1

20.23

0

BIMP036030

Violaxanthin linoleate linolenate

1123.70

23.8

0

6

77.66

41

BIMP036031

6'-Hydroxylutein

584.90

9.9

3

60.69

10

BIMP036032

8-Demethylthymonin

348.30

2

4

8

125.68

3

BIMP036033

Furost-5-ene-3beta,22,26-triol

418.60

4.2

3

4

69.92

4

BIMP036034

Cyanidin 3-O-alpha-L-arabinoside

419.40

7

9

171.37

4

BIMP036035

Malvidin 3-alpha-L-galactoside

487.50

6

9

160.37

6

BIMP036036

Kaempferol 3-rhamnosyl-(6''-acetyl)galactoside 7-rhamnoside

782.70

-1.7

10

20

314.19

10

BIMP036037

alpha-3-Oxo-damascone

206.28

1.9

0

2

34.14

2

BIMP036038

Brevilagin I

816.50

-3.5

11

24

405.24

1

BIMP036039

Malvidin 3-caffeoyl-glucoside

649.60

7

12

206.9

10

BIMP036040

Malvidin 3-chlorogenic acid glucoside

823.80

10

17

293.89

13

BIMP036041

(-)-trans-Isomenth-5-en-2-ol

154.25

2.6

1

20.23

1

BIMP036042

5-Chloro-2-hydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one beta-D-glucopyranoside

391.76

-0.7

5

9

146.94

4

BIMP036043

1-(4-O-beta-D-glucopyranosyl-3-methoxyphenyl)-3,5-dihydroxydecane

454.60

4.6

4

7

108.61

13

BIMP036044

Methyl-[12]-gingerol

392.60

6.7

1

4

55.76

17

BIMP036045

(3S,5S,10S,13R,14R,17R)-4,10,13,14-tetramethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,6,7,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol

414.70

9

1

20.23

5

BIMP036046

4alpha-Methylzymostenol

400.70

8.4

1

20.23

5

BIMP036047

Isopropyl propyl trisulfide

196.40

3.6

0

3

75.9

6

BIMP036048

Quercetin 3-O-sophoroside 7-O-glucuronide

802.60

-2.8

14

23

385.88

10

BIMP036049

(11S,13)-Dihydro-8-deoxylactucin

262.30

0.4

1

4

63.6

1

BIMP036050

Lactupicrin methyl ester

456.50

0.8

3

8

130.36

8