Chemical Library : Dataset Browser

BIMP_ID	Name	Mol Weight	LogP	HBD	HBA	TPSA	Rotatable Bonds
BIMP032276	Tragopogonsaponin M	945.10	5.6	8	16	251.36	12
BIMP032277	Tragopogonsaponin N	1251.40	2.7	14	26	417.5	16
BIMP032278	Tragopogonsaponin O	1253.40	2.5	14	26	417.5	17
BIMP032279	Tragopogonsaponin Q	1075.20	4	11	20	321.28	13
BIMP032280	Tragopogonsaponin R	1283.40	2.5	14	27	426.73	18
BIMP032281	2-[4-[6-(4-Hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol	550.60	0.4	5	12	165.76	8
BIMP032282	Panaquinquecol 2	276.40	3.4	2	3	52.99	9
BIMP032283	8-Methyl-2-propan-2-yl-5,6-dihydrophenanthrene-3,4-dione	266.30	3.6	0	2	34.14	1
BIMP032284	2-hydroxy-1,6-dimethoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyxanthen-9-one	450.40	0.4	5	11	168.28	5
BIMP032285	(1S,3aR,4S,5S,7aR)-1,5-dimethyl-4-(2-methylprop-1-enyl)-1,2,3,3a,5,6,7,7a-octahydroinden-4-ol	222.37	4.3	1	1	20.23	1
BIMP032286	(-)-Tamariscol	222.37	4.3	1	1	20.23	1
BIMP032287	Arteludovicinolide A	278.30	-0.4	1	5	80.67	4
BIMP032288	(1S,2S,6R,7S,10R,12R,14S)-7-hydroxy-14-methyl-5,9-dimethylidene-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradecan-4-one	262.30	0.9	1	4	59.06	0
BIMP032289	[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-formyl-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] acetate	482.70	8	0	3	43.37	3
BIMP032290	(1S,6R,11R,12S,15S,16R,19S,21R)-19-methoxy-1,7,7,11,16,20,20-heptamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-3-en-8-one	454.70	7.8	0	2	26.3	1
BIMP032291	[(2R,4aS,8S,8aS)-4,4,8a-trimethyl-7-methylidene-8-[(2E)-3-methylpenta-2,4-dienyl]-2,3,4a,5,6,8-hexahydro-1H-naphthalen-2-yl] acetate	330.50	6.2	0	2	26.3	5
BIMP032292	(1S,4aR,5S,8aR)-1,4a-dimethyl-6-methylidene-5-[(3S)-3-methyl-5-oxopentyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid	320.50	4.6	1	3	54.37	6
BIMP032293	Balfourodinium	304.40	2.6	1	4	51.8	3
BIMP032294	Isobazzanene	204.35	4.6	0	0	0	1
BIMP032295	gamma-Cuprenene	204.35	4.8	0	0	0	1
BIMP032296	4-Hydroxydehydromyoporone	264.32	1.6	1	4	67.51	7
BIMP032297	(1S,8S,9S,10S,13R)-6,9,10-trimethyl-4,14-dioxatetracyclo[7.5.0.01,13.03,7]tetradeca-3(7),5-dien-8-ol	248.32	2.1	1	3	45.9	0
BIMP032298	[(2E)-2-[(8S,8aR)-8,8a-dimethyl-3-oxo-5,6,7,8-tetrahydro-1H-naphthalen-2-ylidene]propyl] acetate	276.40	3.4	0	3	43.37	3
BIMP032299	[(2Z)-2-[(8S,8aR)-8,8a-dimethyl-3-oxo-5,6,7,8-tetrahydro-1H-naphthalen-2-ylidene]propyl] acetate	276.40	3.4	0	3	43.37	3
BIMP032300	(4aS,5S)-3-(2-hydroxypropan-2-yl)-4a,5-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one	234.33	3.2	1	2	37.3	1

BIMP032276

Tragopogonsaponin M

945.10

5.6

8

16

251.36

12

BIMP032277

Tragopogonsaponin N

1251.40

2.7

14

26

417.5

16

BIMP032278

Tragopogonsaponin O

1253.40

2.5

14

26

417.5

17

BIMP032279

Tragopogonsaponin Q

1075.20

4

11

20

321.28

13

BIMP032280

Tragopogonsaponin R

1283.40

2.5

14

27

426.73

18

BIMP032281

2-[4-[6-(4-Hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

550.60

0.4

5

12

165.76

8

BIMP032282

Panaquinquecol 2

276.40

3.4

2

3

52.99

9

BIMP032283

8-Methyl-2-propan-2-yl-5,6-dihydrophenanthrene-3,4-dione

266.30

3.6

0

2

34.14

1

BIMP032284

2-hydroxy-1,6-dimethoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyxanthen-9-one

450.40

0.4

5

11

168.28

5

BIMP032285

(1S,3aR,4S,5S,7aR)-1,5-dimethyl-4-(2-methylprop-1-enyl)-1,2,3,3a,5,6,7,7a-octahydroinden-4-ol

222.37

4.3

1

20.23

1

BIMP032286

(-)-Tamariscol

222.37

4.3

1

20.23

1

BIMP032287

Arteludovicinolide A

278.30

-0.4

1

5

80.67

4

BIMP032288

(1S,2S,6R,7S,10R,12R,14S)-7-hydroxy-14-methyl-5,9-dimethylidene-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradecan-4-one

262.30

0.9

1

4

59.06

0

BIMP032289

[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-formyl-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] acetate

482.70

8

0

3

43.37

3

BIMP032290

(1S,6R,11R,12S,15S,16R,19S,21R)-19-methoxy-1,7,7,11,16,20,20-heptamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-3-en-8-one

454.70

7.8

0

2

26.3

1

BIMP032291

[(2R,4aS,8S,8aS)-4,4,8a-trimethyl-7-methylidene-8-[(2E)-3-methylpenta-2,4-dienyl]-2,3,4a,5,6,8-hexahydro-1H-naphthalen-2-yl] acetate

330.50

6.2

0

2

26.3

5

BIMP032292

(1S,4aR,5S,8aR)-1,4a-dimethyl-6-methylidene-5-[(3S)-3-methyl-5-oxopentyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid

320.50

4.6

1

3

54.37

6

BIMP032293

Balfourodinium

304.40

2.6

1

4

51.8

3

BIMP032294

Isobazzanene

204.35

4.6

0

1

BIMP032295

gamma-Cuprenene

204.35

4.8

0

1

BIMP032296

4-Hydroxydehydromyoporone

264.32

1.6

1

4

67.51

7

BIMP032297

(1S,8S,9S,10S,13R)-6,9,10-trimethyl-4,14-dioxatetracyclo[7.5.0.01,13.03,7]tetradeca-3(7),5-dien-8-ol

248.32

2.1

1

3

45.9

0

BIMP032298

[(2E)-2-[(8S,8aR)-8,8a-dimethyl-3-oxo-5,6,7,8-tetrahydro-1H-naphthalen-2-ylidene]propyl] acetate

276.40

3.4

0

3

43.37

3

BIMP032299

[(2Z)-2-[(8S,8aR)-8,8a-dimethyl-3-oxo-5,6,7,8-tetrahydro-1H-naphthalen-2-ylidene]propyl] acetate

276.40

3.4

0

3

43.37

3

BIMP032300

(4aS,5S)-3-(2-hydroxypropan-2-yl)-4a,5-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one

234.33

3.2

1

2

37.3

1