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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(3S,5R,6R,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6-triol
|
446.70
|
7
|
3
|
3
|
60.69
|
5
|
|
|
Oxypinnatanine
|
260.24
|
-4.9
|
5
|
7
|
142.11
|
6
|
|
|
(3R,5R)-3,5-dihydroxy-1-[3-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrrolidin-2-one
|
215.20
|
-2.4
|
3
|
5
|
90.23
|
2
|
|
|
(3R,5R)-3,5-dihydroxy-1-(3-methyl-2,5-dihydrofuran-2-yl)pyrrolidin-2-one
|
199.20
|
-1.2
|
2
|
4
|
70
|
1
|
|
|
(1R,28R,31R,48S)-6,7,8,11,17,18,19,30,36,37,38,41,42,43-tetradecahydroxy-2,13,21,26,29,32,47-heptaoxanonacyclo[26.20.0.04,9.010,24.012,22.015,20.031,48.034,39.040,45]octatetraconta-4,6,8,10,12(22),15,17,19,23,34,36,38,40,42,44-pentadecaene-3,14,25,33,46-pentone
|
934.60
|
1.6
|
14
|
26
|
433.18
|
0
|
|
|
[2-(7-Methoxy-2-oxochromen-8-yl)-3-methylbut-2-enyl] 3-methylbutanoate
|
344.40
|
4.7
|
0
|
5
|
65.74
|
7
|
|
|
[(1R,2R)-1-hydroxy-1-(7-methoxy-2-oxochromen-8-yl)-3-methylbut-3-en-2-yl] 3-methylbutanoate
|
360.40
|
3.5
|
1
|
6
|
85.97
|
8
|
|
|
[(1R,2S)-1-hydroxy-1-(7-methoxy-2-oxochromen-8-yl)-3-methylbut-3-en-2-yl] 3-methylbutanoate
|
360.40
|
3.5
|
1
|
6
|
85.97
|
8
|
|
|
8-(1-Hydroxy-3-methylbut-2-en-2-yl)-7-methoxychromen-2-one
|
260.28
|
2.9
|
1
|
4
|
59.67
|
3
|
|
|
Malyngamide A
|
553.10
|
4.9
|
0
|
6
|
85.38
|
19
|
|
|
Cyanidin-3-O-sophoroside
|
611.50
|
|
11
|
15
|
270.75
|
7
|
|
|
Cyanidin 3-sophoroside chloride
|
647.00
|
|
11
|
16
|
270.75
|
7
|
|
|
N-benzyl-9-[(2R,3R,4R,5R)-3,4-dimethoxy-5-[[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxymethyl]oxolan-2-yl]-N-methylpurin-6-amine
|
617.70
|
0.9
|
0
|
13
|
129.91
|
14
|
|
|
Ridentin B
|
264.32
|
0.9
|
2
|
4
|
66.76
|
0
|
|
|
(3aS,5aR,6R,8S,9aS,9bS)-6,8-dihydroxy-5a-methyl-3,9-dimethylidene-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-2-one
|
264.32
|
0.9
|
2
|
4
|
66.76
|
0
|
|
|
Heudelotinone
|
268.30
|
3.8
|
1
|
2
|
37.3
|
0
|
|
|
[(3aR,4R,6aR,9aR,9bR)-9-methyl-3,6-dimethylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] (E)-4-hydroxy-2-[[(E)-2-(hydroxymethyl)but-2-enoyl]oxymethyl]but-2-enoate
|
458.50
|
1.2
|
2
|
8
|
119.36
|
9
|
|
|
[(E)-2-[[(3aR,4R,6aR,9aR,9bR)-9-methyl-3,6-dimethylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl]oxycarbonyl]-4-hydroxybut-2-enyl] (E)-4-hydroxy-2-(hydroxymethyl)but-2-enoate
|
474.50
|
-0.1
|
3
|
9
|
139.59
|
10
|
|
|
[(1S,4aS,5R,6R,8aR)-6-hydroxy-5-[(E)-5-hydroxy-3-methylpent-3-enyl]-1,4a,6-trimethyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl acetate
|
366.50
|
4.3
|
2
|
4
|
66.76
|
7
|
|
|
(3E)-3-[(3,4-dihydroxyphenyl)methylidene]-5,7-dihydroxy-6-methoxychromen-4-one
|
330.29
|
2.4
|
4
|
7
|
116.45
|
2
|
|
|
Dalpanol O-glucoside
|
574.60
|
1.2
|
4
|
12
|
162.6
|
6
|
|
|
5-hydroxy-8-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(2,4,5-trimethoxyphenyl)chromen-4-one
|
536.50
|
1.1
|
5
|
13
|
186.74
|
8
|
|
|
5,7-dihydroxy-6-methoxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3-(2,4,5-trimethoxyphenyl)chromen-4-one
|
536.50
|
0.4
|
6
|
13
|
197.74
|
7
|
|
|
(6R)-6-(2-hydroxypropan-2-yl)-16,17-dimethoxy-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),3(11),4(8),9,14,16,18-heptaen-12-one
|
410.40
|
2.7
|
1
|
7
|
87.36
|
3
|
|
|
15-Hydroxy-abietic-acid
|
318.40
|
3.4
|
2
|
3
|
57.53
|
2
|
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