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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
N-Butyl glucosinolate
|
375.40
|
-0.4
|
5
|
11
|
199.79
|
8
|
|
|
2-Hydroxypropyl glucosinolate
|
377.40
|
-2.1
|
6
|
12
|
220.02
|
7
|
|
|
Licoricesaponin D3
|
1013.10
|
2.9
|
10
|
21
|
335.19
|
11
|
|
|
4,5,7,12-Tetrahydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid
|
380.40
|
-1.9
|
5
|
8
|
144.52
|
1
|
|
|
Flavone base + 3O, 1MeO, C-Hex-FeruloylHex
|
800.70
|
0.3
|
10
|
19
|
304.96
|
12
|
|
|
5-(4-Acetoxy-3-oxo-1-butynyl)-2,2'-bithiophene
|
290.40
|
3.2
|
0
|
5
|
99.85
|
5
|
|
|
5-[6-[[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-hydroxy-8-methoxy-2-methylbenzo[g]chromen-4-one
|
566.50
|
-1.2
|
7
|
14
|
217.97
|
7
|
|
|
Cyanidin 3-sophoroside 5-glucoside
|
773.70
|
|
14
|
20
|
349.9
|
10
|
|
|
Methyl 2-(10-heptadecenyl)-6-hydroxybenzoate
|
388.60
|
10
|
1
|
3
|
46.53
|
17
|
|
|
(all-E)-3,5,7-Tridecatriene-9,11-diyn-1-ol
|
186.25
|
3
|
1
|
1
|
20.23
|
5
|
|
|
5-(12-Heptadecenyl)-1,3-benzenediol
|
346.50
|
9.2
|
2
|
2
|
40.46
|
15
|
|
|
2-[(E)-heptadec-5-enyl]benzene-1,3-diol
|
346.50
|
9.4
|
2
|
2
|
40.46
|
15
|
|
|
Glycinoprenol 11
|
773.30
|
21.2
|
1
|
1
|
20.23
|
34
|
|
|
(2Z,6E,10E,14E,18E,22Z,26E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26-heptaen-1-ol
|
705.20
|
19.3
|
1
|
1
|
20.23
|
31
|
|
|
Glycinoprenol 9
|
637.10
|
17.5
|
1
|
1
|
20.23
|
28
|
|
|
Glandulone B
|
244.28
|
2.2
|
0
|
3
|
51.21
|
4
|
|
|
[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 5,12-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylate
|
510.50
|
-1.6
|
6
|
11
|
183.21
|
4
|
|
|
[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 12-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylate
|
494.50
|
-0.1
|
5
|
10
|
162.98
|
4
|
|
|
Trigofoenoside F
|
1065.20
|
-1.8
|
14
|
23
|
366.29
|
15
|
|
|
Trigofoenoside G
|
1197.30
|
-3.8
|
16
|
27
|
425.21
|
17
|
|
|
(2E,4E,8E)-Piperamide-C9:3
|
325.40
|
4
|
0
|
3
|
38.77
|
6
|
|
|
(2E,8E)-Piperamide-C9:2
|
327.40
|
4.4
|
0
|
3
|
38.77
|
7
|
|
|
(2E,6E)-Piperamide-C7:2
|
299.40
|
3.7
|
0
|
3
|
38.77
|
5
|
|
|
N,N'-Bis(g-glutamyl)-3,3'-(1,2-propylenedithio)dialanine
|
540.60
|
-6.8
|
8
|
14
|
310.04
|
19
|
|
|
cyclolinopeptide A
|
1040.30
|
7.8
|
7
|
9
|
244.32
|
13
|
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