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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
CID 137796431
|
792.90
|
3.1
|
2
|
14
|
178.04
|
12
|
|
|
CID 137796432
|
1079.20
|
-2.9
|
14
|
24
|
383.36
|
16
|
|
|
Gnetumontanin B
|
712.70
|
7
|
9
|
11
|
200.53
|
6
|
|
|
CID 137796503
|
340.40
|
1.8
|
3
|
4
|
76.56
|
1
|
|
|
CID 137796515
|
498.60
|
5.4
|
1
|
6
|
89.9
|
8
|
|
|
7,8-Dihydroxy-4,9,13-trimethyl-6-oxatetracyclo[7.4.0.03,7.010,12]trideca-1(13),3-dien-5-one
|
262.30
|
0.1
|
2
|
4
|
66.76
|
0
|
|
|
2-[2-[3,4,5-Trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-7-one
|
570.50
|
-1.8
|
7
|
14
|
217.97
|
7
|
|
|
Erioside
|
356.28
|
-1
|
6
|
10
|
170.05
|
3
|
|
|
(3,4-Dihydroxyphenyl) acetate
|
168.15
|
1.6
|
2
|
4
|
66.76
|
2
|
|
|
cyclo(L-Phe-L-Val)
|
246.30
|
2
|
2
|
2
|
58.2
|
3
|
|
|
(3S,6S)-3-Isopropyl-6-methylpiperazine-2,5-dione
|
170.21
|
0.5
|
2
|
2
|
58.2
|
1
|
|
|
Isopimara-8,15-diene
|
272.50
|
6.5
|
0
|
0
|
0
|
1
|
|
|
Pimara-8,15-diene
|
272.50
|
6.5
|
0
|
0
|
0
|
1
|
|
|
Stigmasta-3,5-diene
|
396.70
|
10.6
|
0
|
0
|
0
|
6
|
|
|
6-[(3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
|
564.50
|
-1.6
|
10
|
14
|
250.97
|
5
|
|
|
Glycerol 1,3-dihexadecanoate 2-(9Z,12Z-octadecadienoate)
|
831.30
|
21.4
|
0
|
6
|
78.9
|
50
|
|
|
1,3-Dipalmitoyl-2-linoleoylglycerol
|
831.30
|
21.4
|
0
|
6
|
78.9
|
50
|
|
|
Gnetifolin E
|
420.40
|
0.5
|
6
|
9
|
149.07
|
6
|
|
|
trans-p-Coumaric acid 4-glucoside
|
326.30
|
0.1
|
5
|
8
|
136.68
|
5
|
|
|
(4R,15S,16S,18R)-15-ethyl-17-oxa-1,11-diazapentacyclo[13.4.1.04,12.05,10.016,18]icosa-5,7,9,11-tetraen-4-ol
|
312.40
|
1.6
|
1
|
4
|
48.36
|
1
|
|
|
19,20-(E)-Vallesamine
|
340.40
|
1.3
|
2
|
4
|
65.56
|
3
|
|
|
methyl (12S,13S,14Z)-14-ethylidene-12-(hydroxymethyl)-1,10-diazatetracyclo[11.2.2.03,11.04,9]heptadeca-3(11),4,6,8-tetraene-12-carboxylate
|
340.40
|
1.3
|
2
|
4
|
65.56
|
3
|
|
|
16-Hydroxy-16,22-dihydroapparicine
|
282.40
|
1.7
|
2
|
2
|
39.26
|
0
|
|
|
Ethanone, 1-(2-methyl-1-cyclopenten-1-yl)-
|
124.18
|
1.2
|
0
|
1
|
17.07
|
1
|
|
|
(+)-Pisiferal
|
300.40
|
5.2
|
1
|
2
|
37.3
|
2
|
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