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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
7-methoxy-6-[(1S)-1-[(1S)-1-(7-methoxy-2,2-dimethylchromen-6-yl)ethoxy]ethyl]-2,2-dimethylchromene
|
450.60
|
5.7
|
0
|
5
|
46.15
|
6
|
|
|
8,9-Dihydroxy-10-isobutyryloxythymol
|
268.30
|
1.7
|
3
|
5
|
86.99
|
6
|
|
|
[2-[2-(Acetyloxymethyl)oxiran-2-yl]-5-methylphenyl] 2-methylpropanoate
|
292.33
|
2.3
|
0
|
5
|
65.13
|
7
|
|
|
Sorgoleone 358
|
358.50
|
6
|
1
|
4
|
63.6
|
13
|
|
|
[(10R,11R,13R,14R,15S)-3,4,5,11,14,20,21,22-octahydroxy-8,17-dioxo-9,12,16-trioxatetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,18,20-hexaen-13-yl]methyl 3,4,5-trihydroxybenzoate
|
634.50
|
0.1
|
11
|
18
|
310.66
|
4
|
|
|
7,8,9,12,13,14,25,26,27,30,31,32,35,36,37-Pentadecahydroxy-46-(2,3,4,5-tetrahydroxyoxan-2-yl)-3,18,21,41,43-pentaoxanonacyclo[27.13.3.138,42.02,20.05,10.011,16.023,28.033,45.034,39]hexatetraconta-5,7,9,11,13,15,23,25,27,29(45),30,32,34(39),35,37-pentadecaene-4,17,22,40,44-pentone
|
1066.70
|
-1.1
|
19
|
30
|
525.1
|
1
|
|
|
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-hydroxybenzoyl)oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
|
452.40
|
-0.1
|
7
|
12
|
203.44
|
7
|
|
|
(4S)-4-(3,4-dimethoxyphenyl)-4-[2-(dimethylamino)ethyl]cyclohex-2-en-1-one
|
303.40
|
2.7
|
0
|
4
|
38.77
|
6
|
|
|
[(3R,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[(1R,4R,5R)-1-methyl-8-methylidene-7-oxo-2,6-dioxabicyclo[3.3.1]nonan-4-yl]-1-oxo-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfate
|
534.70
|
3.7
|
1
|
8
|
124.58
|
3
|
|
|
(2R)-2-[(1R)-1-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-1-oxo-4,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-hydroxyethyl]-4-methyl-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,3-dihydropyran-6-one
|
616.70
|
2.2
|
5
|
10
|
162.98
|
7
|
|
|
b-Solamarine
|
868.10
|
1.1
|
9
|
16
|
238.48
|
7
|
|
|
2-[2-[3,5-Dihydroxy-2-(hydroxymethyl)-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl)oxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
884.10
|
1.1
|
10
|
17
|
258.71
|
8
|
|
|
7-Hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-acetic acid
|
234.20
|
1
|
2
|
5
|
87.74
|
2
|
|
|
Anhydrobarakol
|
214.22
|
1.1
|
0
|
3
|
43.35
|
0
|
|
|
Sanguiin H1
|
786.60
|
1.2
|
13
|
22
|
377.42
|
7
|
|
|
[(10R,11S,13R,14R,15S)-3,4,5,14,20,21,22-heptahydroxy-8,17-dioxo-11-(3,4,5-trihydroxybenzoyl)oxy-9,12,16-trioxatetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,18,20-hexaen-13-yl]methyl 3,4,5-trihydroxybenzoate
|
786.60
|
1.2
|
13
|
22
|
377.42
|
7
|
|
|
[(1S,7S,9S,18R,19S,21R,22S)-7,8,8,12,13,22-hexahydroxy-21-(hydroxymethyl)-3,6,16-trioxo-2,17,20,23-tetraoxapentacyclo[16.3.1.17,11.04,9.010,15]tricosa-4,10,12,14-tetraen-19-yl] 3,4,5-trihydroxybenzoate
|
650.50
|
-2.6
|
10
|
19
|
316.73
|
4
|
|
|
[3,6a,13',14',18',19',25'-heptahydroxy-5'-(hydroxymethyl)-2',5,10',23'-tetraoxospiro[3,3a-dihydro-2H-furo[3,2-b]furan-6,21'-3,6,9,20,24-pentaoxahexacyclo[17.2.2.14,8.115,18.01,17.011,16]pentacosa-11,13,15-triene]-7'-yl] 3,4,5-trihydroxybenzoate
|
808.60
|
-4.8
|
11
|
24
|
381.72
|
4
|
|
|
(2,3,14,15,16,19,20,21,35,36-Decahydroxy-6,11,24,32-tetraoxo-7,10,25,28,31,40-hexaoxaoctacyclo[35.2.1.05,39.08,27.09,30.012,17.018,23.033,38]tetraconta-1(39),2,4,12,14,16,18,20,22,33,35,37-dodecaen-29-yl) 3,4,5-trihydroxybenzoate
|
918.60
|
2.9
|
13
|
25
|
416.86
|
3
|
|
|
[(2S,3S,4S,5R,6S)-4-[(2S,3R,4S,5R)-4-acetyloxy-3,5-dihydroxyoxan-2-yl]oxy-5-hydroxy-6-[5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-4-oxo-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-3-yl]oxy-2-methyloxan-3-yl] acetate
|
892.80
|
1.3
|
8
|
21
|
309.26
|
15
|
|
|
(2Z)-6-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(3,4,5-trihydroxyphenyl)methylidene]-1-benzofuran-3-one
|
464.40
|
0
|
8
|
12
|
206.6
|
4
|
|
|
3,4,8,9,10-pentahydroxy-2-(hydroxymethyl)-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-6-one
|
314.24
|
-1.3
|
6
|
9
|
156.91
|
1
|
|
|
Lyciumin A
|
873.90
|
0.3
|
10
|
12
|
306.7
|
10
|
|
|
Lyciumin B
|
896.90
|
0.8
|
10
|
11
|
302.26
|
10
|
|
|
2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
|
632.80
|
4.8
|
5
|
9
|
153.75
|
4
|
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