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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(2S,4R,5S)-4,5-dihydroxypiperidine-2-carboxylic acid
|
161.16
|
-4
|
4
|
5
|
89.79
|
1
|
|
|
(2S,4S,5R)-4,5-dihydroxypiperidine-2-carboxylic acid
|
161.16
|
-4
|
4
|
5
|
89.79
|
1
|
|
|
6,8-Dimethoxy-7-(3-methyl-2-butenyloxy)coumarin
|
290.31
|
3.3
|
0
|
5
|
57.9
|
5
|
|
|
26-(2-Hydroxy-2-methylpropyl)-5,5-dimethyl-6,15-dioxahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(14),2(7),3,8,10,12,16(25),18,20,22-decaene-17,24-dione
|
466.50
|
5.5
|
1
|
5
|
72.83
|
2
|
|
|
(-)-Nirtetralin
|
430.50
|
3.6
|
0
|
7
|
64.61
|
8
|
|
|
6-[(2R,3R)-3-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-2-(methoxymethyl)butyl]-4-methoxy-1,3-benzodioxole
|
432.50
|
4.1
|
0
|
7
|
64.61
|
12
|
|
|
(2R,3R)-2,3-bis[(3,4-dimethoxyphenyl)methyl]butane-1,4-diol
|
390.50
|
3.2
|
2
|
6
|
77.38
|
11
|
|
|
Martinoside
|
652.60
|
0.1
|
7
|
15
|
223.29
|
13
|
|
|
[(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
638.60
|
-0.2
|
8
|
15
|
234.29
|
12
|
|
|
Forsyt-hoside B
|
756.70
|
-1.7
|
11
|
19
|
304.21
|
14
|
|
|
Cladosporin
|
292.33
|
3.3
|
2
|
5
|
75.99
|
2
|
|
|
4-Hydroxy-3-methylbenzaldehyde
|
136.15
|
0.8
|
1
|
2
|
37.3
|
1
|
|
|
2',4',6'-Trihydroxy-4-methoxychalcone
|
286.28
|
3.1
|
3
|
5
|
86.99
|
4
|
|
|
(1R,5R,6R,13R,21R)-5,13-bis(3,4-dihydroxyphenyl)-16-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol
|
864.80
|
3.3
|
14
|
18
|
320.14
|
4
|
|
|
Pavetannin B6
|
864.80
|
3.3
|
14
|
18
|
320.14
|
4
|
|
|
Pavetannin B2
|
864.80
|
3.3
|
14
|
18
|
320.14
|
4
|
|
|
(1R,5R,6R,7R,13S,21R)-5,13-bis(3,4-dihydroxyphenyl)-7-[(2S,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol
|
864.80
|
3.3
|
14
|
18
|
320.14
|
4
|
|
|
ent-Epicatechin-(4alpha->6)-ent-epicatechin
|
578.50
|
2.4
|
10
|
12
|
220.76
|
3
|
|
|
Procyanidin B7
|
578.50
|
2.4
|
10
|
12
|
220.76
|
3
|
|
|
(2R,3R)-2-(3,4-dihydroxyphenyl)-6-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
|
578.50
|
2.4
|
10
|
12
|
220.76
|
3
|
|
|
(2R,3R,4R)-4-benzylsulfanyl-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
|
412.50
|
3.1
|
5
|
7
|
135.68
|
4
|
|
|
(2R,3S,4R)-4-benzylsulfanyl-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
|
412.50
|
3.1
|
5
|
7
|
135.68
|
4
|
|
|
Methyl 14-oxooctadecanoate
|
312.50
|
6.6
|
0
|
3
|
43.37
|
17
|
|
|
Methyl 14-oxononacosanoate
|
466.80
|
12.1
|
0
|
3
|
43.37
|
28
|
|
|
14-Oxononacosanoic acid
|
452.80
|
11
|
1
|
3
|
54.37
|
27
|
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