Chemical Library : Dataset Browser

BIMP_ID	Name	Mol Weight	LogP	HBD	HBA	TPSA	Rotatable Bonds
BIMP020626	Uncarine F	368.40	1.6	1	5	67.87	2
BIMP020627	(3S,9S,10R,13R,14R,17R)-17-[(E,2S,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol	396.60	7.4	1	1	20.23	4
BIMP020628	2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one	464.40	0.4	8	12	210.51	4
BIMP020629	2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one	464.40	0.4	8	12	210.51	4
BIMP020630	Quercetin 3-alloside	464.40	0.4	8	12	210.51	4
BIMP020631	2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one	464.40	0.4	8	12	210.51	4
BIMP020632	Isorhoeadine	383.40	2.4	0	7	58.62	1
BIMP020633	Rheagenine	369.40	1.9	1	7	69.62	0
BIMP020634	Rhoeagenine	369.40	1.9	1	7	69.62	0
BIMP020635	10-[(3-Acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-5-hydroxy-2,2-dimethyl-8-phenyl-7,8-dihydropyrano[3,2-g]chromen-6-one	516.50	5.5	4	8	133.52	4
BIMP020636	5-Hydroxy-2-(4-methoxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one	448.40	0.9	5	10	155.14	5
BIMP020637	Isosalicin	286.28	-1.1	5	7	119.61	4
BIMP020638	Neogitogenin	432.60	5.5	2	4	58.92	0
BIMP020639	Yonogenin	432.60	5.5	2	4	58.92	0
BIMP020640	Episarsasapogenin	416.60	6.5	1	3	38.69	0
BIMP020641	Neotigogenin	416.60	6.5	1	3	38.69	0
BIMP020642	Iso-Shyobunone	220.35	4.9	0	1	17.07	2
BIMP020643	Methyl 17-(1-hydroxyethyl)-6-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate	384.50	2.4	2	5	74.79	4
BIMP020644	methyl (1S,15S,17S,18S)-17-[(1S)-1-hydroxyethyl]-6-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate	384.50	2.4	2	5	74.79	4
BIMP020645	(1S,2S,4S,5'R,6R,7S,8S,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-ol	414.60	5.7	1	3	38.69	0
BIMP020646	CID 12304515	234.33	3.1	1	2	37.3	1
BIMP020647	(1S,2S,7S,10R,11S,14S,15R,16S,17R,20R,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-ol	397.60	6.1	1	2	23.47	0
BIMP020648	Isotalatisidine	407.50	0.4	3	6	82.39	4
BIMP020649	(1S,13S,16S,18S)-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraene-13,18-diol	317.34	0.5	2	6	71.39	0
BIMP020650	Isotelekin	248.32	1.9	1	3	46.53	0

BIMP020626

Uncarine F

368.40

1.6

1

5

67.87

2

BIMP020627

(3S,9S,10R,13R,14R,17R)-17-[(E,2S,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol

396.60

7.4

1

20.23

4

BIMP020628

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

464.40

0.4

8

12

210.51

4

BIMP020629

2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

464.40

0.4

8

12

210.51

4

BIMP020630

Quercetin 3-alloside

464.40

0.4

8

12

210.51

4

BIMP020631

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

464.40

0.4

8

12

210.51

4

BIMP020632

Isorhoeadine

383.40

2.4

0

7

58.62

1

BIMP020633

Rheagenine

369.40

1.9

1

7

69.62

0

BIMP020634

Rhoeagenine

369.40

1.9

1

7

69.62

0

BIMP020635

10-[(3-Acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-5-hydroxy-2,2-dimethyl-8-phenyl-7,8-dihydropyrano[3,2-g]chromen-6-one

516.50

5.5

4

8

133.52

4

BIMP020636

5-Hydroxy-2-(4-methoxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one

448.40

0.9

5

10

155.14

5

BIMP020637

Isosalicin

286.28

-1.1

5

7

119.61

4

BIMP020638

Neogitogenin

432.60

5.5

2

4

58.92

0

BIMP020639

Yonogenin

432.60

5.5

2

4

58.92

0

BIMP020640

Episarsasapogenin

416.60

6.5

1

3

38.69

0

BIMP020641

Neotigogenin

416.60

6.5

1

3

38.69

0

BIMP020642

Iso-Shyobunone

220.35

4.9

0

1

17.07

2

BIMP020643

Methyl 17-(1-hydroxyethyl)-6-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate

384.50

2.4

2

5

74.79

4

BIMP020644

methyl (1S,15S,17S,18S)-17-[(1S)-1-hydroxyethyl]-6-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate

384.50

2.4

2

5

74.79

4

BIMP020645

(1S,2S,4S,5'R,6R,7S,8S,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-ol

414.60

5.7

1

3

38.69

0

BIMP020646

CID 12304515

234.33

3.1

1

2

37.3

1

BIMP020647

(1S,2S,7S,10R,11S,14S,15R,16S,17R,20R,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-ol

397.60

6.1

1

2

23.47

0

BIMP020648

Isotalatisidine

407.50

0.4

3

6

82.39

4

BIMP020649

(1S,13S,16S,18S)-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraene-13,18-diol

317.34

0.5

2

6

71.39

0

BIMP020650

Isotelekin

248.32

1.9

1

3

46.53

0