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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
6-[(3R,3aS,6R,6aS)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-4-methoxy-1,3-benzodioxole
|
430.40
|
2.7
|
0
|
8
|
73.84
|
6
|
|
|
3-Ethylbenzaldehyde
|
134.17
|
2.2
|
0
|
1
|
17.07
|
2
|
|
|
(3S,5R,10S,13R,14R)-4,4,10,13,14-pentamethyl-17-(6-methylhept-5-en-2-yl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
|
426.70
|
8.9
|
1
|
1
|
20.23
|
4
|
|
|
Oleanolate
|
455.70
|
8.1
|
1
|
3
|
60.36
|
0
|
|
|
(2S,3S,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine
|
480.60
|
4.7
|
1
|
6
|
52.19
|
7
|
|
|
(3R)-5-[(1R,2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpentanoic acid
|
324.50
|
5.2
|
2
|
3
|
57.53
|
5
|
|
|
5alpha-Androstan-3beta,17beta-diol-7-one
|
306.40
|
2.6
|
2
|
3
|
57.53
|
0
|
|
|
(2R,3R,4S,5R,6S)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
|
194.14
|
-2.3
|
5
|
7
|
127.45
|
1
|
|
|
(-)-Asarinin
|
354.40
|
2.7
|
0
|
6
|
55.38
|
2
|
|
|
[(2R,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanone
|
322.40
|
3.4
|
0
|
4
|
42.43
|
4
|
|
|
(9beta)-3-Hydroxyestra-1,3,5(10)-trien-17-one
|
270.40
|
3.1
|
1
|
2
|
37.3
|
0
|
|
|
Trachelanthamine
|
285.38
|
1.4
|
2
|
5
|
70
|
6
|
|
|
14-Epiandrographolide, >=95% (LC/MS-ELSD)
|
350.40
|
2.2
|
3
|
5
|
86.99
|
3
|
|
|
Lambertiainc Acid
|
316.40
|
4.9
|
1
|
3
|
50.44
|
4
|
|
|
3-Epioleanolic acid
|
456.70
|
7.5
|
2
|
3
|
57.53
|
1
|
|
|
(1R,9R)-5,12-dimethoxy-17-methyl-17-azatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene-4,13-diol
|
327.40
|
2.6
|
2
|
5
|
62.16
|
2
|
|
|
2-[(5S,7R,11S,12S,13S,21S)-13,17,18-trihydroxy-2,10,14-trioxo-5,21-bis[(3,4,5-trihydroxybenzoyl)oxy]-7-[(3,4,5-trihydroxybenzoyl)oxymethyl]-3,6,9,15-tetraoxatetracyclo[10.7.1.14,8.016,20]henicosa-1(19),16(20),17-trien-11-yl]acetic acid
|
956.70
|
0.7
|
13
|
27
|
447.09
|
12
|
|
|
1(beta)-O-Galloylpedunculagin
|
936.60
|
2.1
|
15
|
26
|
444.18
|
3
|
|
|
Dihydroparthenin
|
264.32
|
1.4
|
1
|
4
|
63.6
|
0
|
|
|
Judaicin
|
264.32
|
1.2
|
1
|
4
|
63.6
|
0
|
|
|
Einecs 242-826-6
|
884.10
|
1.1
|
10
|
17
|
258.71
|
8
|
|
|
(3b,5a,6a)-Cevane-3,6,20-triol
|
431.70
|
4.1
|
3
|
4
|
63.93
|
0
|
|
|
Desacetylvindoline
|
414.50
|
2.3
|
2
|
7
|
82.47
|
4
|
|
|
(2S)-4-[(2S,13R)-2,13-dihydroxy-13-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-hydroxyundecyl]tetrahydrofuran-2-yl]tetrahydrofuran-2-yl]tridecyl]-2-methyl-2H-furan-5-one
|
622.90
|
9.7
|
3
|
7
|
105.45
|
25
|
|
|
Antiarigenin 3-O-beta-D-antiaroside
|
566.60
|
-1.8
|
6
|
11
|
183.21
|
4
|
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