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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
cedronolactone B
|
364.40
|
0.1
|
2
|
7
|
102.29
|
1
|
|
|
methyl (1S,15S,18S)-17-ethyl-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate
|
368.50
|
3.5
|
1
|
4
|
54.56
|
4
|
|
|
1,4-Dithiane
|
120.20
|
1.3
|
0
|
2
|
50.6
|
0
|
|
|
methyl (3S)-3-(3,4-dihydroxyphenyl)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoate
|
374.30
|
2.1
|
4
|
8
|
133.52
|
8
|
|
|
methyl (2S,4aS,6aR,7R,10aR,10bR)-2-(furan-3-yl)-7-hydroxy-6a,10b-dimethyl-4-oxo-2,4a,5,6,10,10a-hexahydro-1H-benzo[f]isochromene-7-carboxylate
|
374.40
|
2.8
|
1
|
6
|
85.97
|
3
|
|
|
Nigakilactone A
|
378.50
|
2
|
2
|
6
|
93.06
|
1
|
|
|
7-Methoxypraecansone B
|
380.40
|
4.3
|
0
|
5
|
53.99
|
6
|
|
|
(5R,5Ar)-5-(4-hydroxy-3,5-dimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one
|
384.40
|
2.8
|
1
|
7
|
83.45
|
3
|
|
|
(1S,3R,12R,13S)-7,9-dihydroxy-13,14,14-trimethyl-8-(3-methylbutanoyl)-4-oxatetracyclo[10.2.1.03,13.05,10]pentadeca-5,7,9-triene-6-carbaldehyde
|
386.50
|
5.6
|
2
|
5
|
83.83
|
4
|
|
|
2-(3,4-Dimethoxyphenyl)-7-hydroxy-5,6,8-trimethoxy-4H-1-benzopyran-4-one
|
388.40
|
2.7
|
1
|
8
|
96.59
|
6
|
|
|
Rabdocoetsin B
|
390.50
|
1.6
|
2
|
6
|
93.06
|
2
|
|
|
Isophytol
|
296.50
|
7.8
|
1
|
1
|
20.23
|
13
|
|
|
(1S,2R,3R,4S,6R,7R,10R,11R,12R)-2,6,11,12-tetrahydroxy-4,10-dimethyl-4-[(2R)-3-methyl-5-oxo-2H-furan-2-yl]-9,14-dioxatetracyclo[8.4.0.03,7.07,11]tetradecan-13-one
|
396.40
|
-1.9
|
4
|
9
|
142.75
|
1
|
|
|
20S,21-Epoxyresibufogenin
|
400.50
|
3.5
|
1
|
5
|
71.59
|
1
|
|
|
Cheirolin
|
179.30
|
1.3
|
0
|
4
|
86.97
|
4
|
|
|
(6R,8S,13S,14R,16S)-2,3,12,15,16-pentahydroxy-9,13,17-trimethyl-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-4,11-dione
|
410.40
|
-2.4
|
5
|
9
|
153.75
|
0
|
|
|
(2R,3R)-3,7,10-trihydroxy-2-(2-hydroxypropan-2-yl)-8-(2-methylbut-3-en-2-yl)-2,3-dihydrofuro[3,2-c]xanthen-6-one
|
412.40
|
4.2
|
4
|
7
|
120.36
|
3
|
|
|
(3R,3aR,6S,6aR)-3-(3,4-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan
|
416.50
|
2.9
|
0
|
7
|
64.61
|
7
|
|
|
Magnosalin
|
416.50
|
4.9
|
0
|
6
|
55.38
|
8
|
|
|
Iberin
|
163.30
|
1
|
0
|
4
|
80.73
|
4
|
|
|
(3aS,5R,6aR,8S,9aR,9bS)-5-hydroxy-3,6,9-trimethylidene-8-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one
|
424.40
|
-1.4
|
5
|
9
|
145.91
|
3
|
|
|
Kushenol F
|
424.50
|
5.8
|
4
|
6
|
107.22
|
6
|
|
|
(22e)-Stigmasta-4,22-diene-3,6-dione
|
424.70
|
7.6
|
0
|
2
|
34.14
|
5
|
|
|
S-Glutathionyl-L-cysteine
|
426.50
|
-7.7
|
7
|
12
|
272.74
|
14
|
|
|
1,8-dihydroxy-3-[(E)-7-methoxy-3,7-dimethyloct-2-enoxy]-6-methylxanthen-9-one
|
426.50
|
5.7
|
2
|
6
|
89.13
|
8
|
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