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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(1R,2R,5S,9S,13S,14R,18S)-3-acetyloxy-14-[(R)-acetyloxy(furan-3-yl)methyl]-8-ethoxy-16-hydroxy-13,18-bis(2-methoxy-2-oxoethyl)-2,5,11,14-tetramethyl-7-methylperoxy-10,12,17-trioxahexacyclo[9.5.1.12,5.01,9.03,7.09,13]octadecan-6-yl] (2S,3R)-2,3-dimethyloxirane-2-carboxylate
|
864.90
|
1.1
|
1
|
19
|
232.78
|
19
|
|
|
[(1R,2R,5S,9S,13S,14R,18S)-3-acetyloxy-14-[(R)-acetyloxy(furan-3-yl)methyl]-8-ethoxy-16-hydroxy-13,18-bis(2-methoxy-2-oxoethyl)-2,5,11,14-tetramethyl-7-methylperoxy-10,12,17-trioxahexacyclo[9.5.1.12,5.01,9.03,7.09,13]octadecan-6-yl] (E)-2-methylbut-2-enoate
|
848.90
|
2
|
1
|
18
|
220.25
|
19
|
|
|
(3beta,4alpha,22beta)-22-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-23-hydroxyolean-12-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1->2)-O-beta-D-galactopyranosyl-(1->2)-beta-D-glucopyranosiduronic acid
|
1251.40
|
-0.3
|
16
|
27
|
433.05
|
14
|
|
|
methyl (1S,12S,19R)-12-ethyl-5-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,9,13-pentaene-10-carboxylate
|
366.50
|
3.3
|
1
|
5
|
50.8
|
4
|
|
|
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(2E)-6-hydroxy-2,6-dimethylocta-2,7-dienoyl]oxyoxan-2-yl]methyl (4R)-4-(2-hydroxypropan-2-yl)cyclohexene-1-carboxylate
|
512.60
|
1
|
5
|
10
|
162.98
|
12
|
|
|
(2S)-4-methyl-2-[[2-[(1R,2S)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetyl]amino]pentanoic acid
|
323.40
|
2.7
|
2
|
4
|
83.47
|
9
|
|
|
(2S)-4-hydroxy-5-[[3-(hydroxymethyl)-2,5-dihydrofuran-2-yl]amino]-5-oxo-2-[[(2R,3S,4R,5R)-3,4,5-trihydroxy-2-(hydroxymethyl)oxan-2-yl]amino]pentanoic acid
|
422.38
|
-6.2
|
9
|
12
|
218.27
|
9
|
|
|
(2S)-4-hydroxy-5-[[(1Z)-2-(hydroxymethyl)buta-1,3-dienyl]amino]-5-oxo-2-[[(2R,3S,4R,5R)-3,4,5-trihydroxy-2-(hydroxymethyl)oxan-2-yl]amino]pentanoic acid
|
406.38
|
-5.1
|
9
|
11
|
209.04
|
10
|
|
|
[(1S,2S,4S,5R,7S,9S,10R,11S,12S,14S,15R,16R,19S)-10-acetyloxy-5-hydroxy-11,15-dimethyl-16-[(1S)-1-[(2R)-4-methyl-6-oxo-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,3-dihydropyran-2-yl]ethyl]-3,8-dioxahexacyclo[10.7.0.02,4.05,11.07,9.015,19]nonadecan-14-yl] acetate
|
750.80
|
0.8
|
5
|
15
|
223.57
|
10
|
|
|
(3E)-3-(1,3-benzodioxol-5-ylmethylidene)-7-methoxychromen-4-one
|
310.30
|
3.1
|
0
|
5
|
53.99
|
2
|
|
|
4-O-Galloylalbiflorin
|
632.60
|
0.2
|
7
|
15
|
238.97
|
10
|
|
|
[(2R,3S,4R,5R,6S)-6-[[(1R,2S,3R,5R,6R,8S)-2-(benzoyloxymethyl)-6-hydroxy-8-methyl-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-3-yl]oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate
|
632.60
|
-0.4
|
7
|
15
|
231.13
|
10
|
|
|
Javanicin
|
290.27
|
2
|
2
|
6
|
100.9
|
3
|
|
|
4-Isopropylsalicylaldehyde
|
164.20
|
2.7
|
1
|
2
|
37.3
|
2
|
|
|
Qui3Me(b1-4)Oli3Me(b)-O-Et
|
350.40
|
-0.2
|
2
|
8
|
95.84
|
6
|
|
|
Qui3Me(b1-4)Oli3Me(a)-O-Et
|
350.40
|
-0.2
|
2
|
8
|
95.84
|
6
|
|
|
[(2S)-1-acetyloxy-3-hydroxypropan-2-yl] (3R)-3-acetyloxyoctadecanoate
|
458.60
|
7
|
1
|
7
|
99.13
|
24
|
|
|
1-O-acetyl-2-O-[(3r,7r)-3,7-bis(acetyloxy)octadecanoyl]-sn-glycerol
|
516.70
|
5.9
|
1
|
9
|
125.43
|
26
|
|
|
1-O-acetyl-2-O-[(3r,9r)-3,9-bis(acetyloxy)eicosanoyl]-sn-glycerol
|
544.70
|
6.8
|
1
|
9
|
125.43
|
28
|
|
|
2-O-[(3r)-3-(acetyloxy)octadecanoyl]-glycerol
|
416.60
|
6.5
|
2
|
6
|
93.06
|
22
|
|
|
1-O-acetyl-2-O-[(3r,6s)-3-(acetyloxy)-6-hydroxyoctadecanoyl]-sn-glycerol
|
474.60
|
5.5
|
2
|
8
|
119.36
|
24
|
|
|
1-O-acetyl-2-O-[(3r,9r)-3-(acetyloxy)-9-hydroxyeicosanoyl]-sn-glycerol
|
502.70
|
6.2
|
2
|
8
|
119.36
|
26
|
|
|
2-O-[(3r,7r)-3,7-bis(acetyloxy) octadecanoyl]-glycerol
|
474.60
|
5.3
|
2
|
8
|
119.36
|
24
|
|
|
2-O-[(3r,9r)-3,9-bis(acetyloxy)eicosanoyl]-glycerol
|
502.70
|
6.2
|
2
|
8
|
119.36
|
26
|
|
|
2-O-[(3r,6s)-3-(acetyloxy)-6-hydroxy-octadecanoyl]-glycerol
|
432.60
|
4.9
|
3
|
7
|
113.29
|
22
|
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