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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
3-[(2S,3R,4S,5R,6R)-6-[[(2R,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
|
756.70
|
-2.5
|
12
|
20
|
328.35
|
9
|
|
|
(2S,4aS,8aS)-6-(2-hydroxypropan-2-yl)-8a-methyl-4-methylidene-1,2,3,4a,5,6,7,8-octahydronaphthalen-2-ol
|
238.37
|
2.4
|
2
|
2
|
40.46
|
1
|
|
|
(4S,4aR,4bS,5S,7R,8aS,10S,10aS)-4,5,10-trihydroxy-1,1-dimethyl-9-oxo-7-(3-oxoprop-1-en-2-yl)-3,4,4b,5,6,7,8,8a,10,10a-decahydro-2H-phenanthrene-4a-carbaldehyde
|
364.40
|
0.6
|
3
|
6
|
111.9
|
3
|
|
|
(2R,3R,4R,5S)-2-[(3S,5S,8R,9S,10S,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-5,6-dimethylheptane-3,4-diol
|
434.70
|
7.3
|
3
|
3
|
60.69
|
5
|
|
|
[(1R,2R,3R,4S,6S,9S,10S,11S,13S,14R)-3-acetyloxy-14-[2-[(1R,2R,3R,4S,6S,9S,10S,11S,13S,14S)-3,6-diacetyloxy-2,11,14-trihydroxy-5,5,9-trimethyl-15-oxo-14-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]ethyl]-2,11-dihydroxy-5,5,9-trimethyl-15-oxo-6-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
|
887.10
|
2.9
|
5
|
15
|
240.49
|
11
|
|
|
[(1R,2R,3R,4S,6S,9S,10S,11S,13S,14S)-3-acetyloxy-14-[2-[(1R,2R,4S,6S,9S,10S,11S,13S,14R)-2,6-diacetyloxy-11-hydroxy-5,5,9-trimethyl-3,15-dioxo-14-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]ethyl]-2,11,14-trihydroxy-5,5,9-trimethyl-15-oxo-6-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
|
885.00
|
3.1
|
4
|
15
|
237.33
|
11
|
|
|
[(1R,2R,3R,4S,6S,9S,10S,11S,13S,14R)-3-acetyloxy-14-[2-[(1R,2R,4S,6S,9S,10S,11S,13S,14S)-2,6-diacetyloxy-11,14-dihydroxy-5,5,9-trimethyl-3,15-dioxo-14-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]ethyl]-2,11-dihydroxy-5,5,9-trimethyl-15-oxo-6-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
|
885.00
|
3.1
|
4
|
15
|
237.33
|
11
|
|
|
(2R)-2-[[2-[[(2R)-5-(diaminomethylideneamino)-2-[[(4S,6R,12S,15R,16S)-4-hydroxy-12-(2-methylpropyl)-3-oxo-15-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]-9,16-di(propan-2-yl)-8,11,14-trioxa-2,7,10,13-tetrazatricyclo[15.3.1.04,20]henicosa-1(20),17(21),18-triene-6-carbonyl]amino]pentanoyl]amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
|
985.10
|
-2.6
|
14
|
17
|
388.99
|
19
|
|
|
(2S,3R,4S,5S,6R)-2-[4-[(2S,3R,4S)-4-[(R)-(3,4-dimethoxyphenyl)-hydroxymethyl]-3-(hydroxymethyl)oxolan-2-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
552.60
|
-0.2
|
6
|
12
|
176.76
|
10
|
|
|
(2R,3R,4S,5S,6R)-2-[(R)-(4-hydroxy-3-methoxyphenyl)-[(3S,4R,5S)-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
538.50
|
-0.3
|
7
|
12
|
187.76
|
9
|
|
|
coumaroyl(3-OMe)(-6)b-Glc
|
356.32
|
-0.9
|
5
|
9
|
145.91
|
6
|
|
|
[(3R,4R,4aR,5S,6R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-4-acetyloxy-5,6-dihydroxy-10-[(2R,3R,4S,5S,6R)-4-hydroxy-3,5-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxy-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-3-yl] acetate
|
1209.30
|
-2.1
|
15
|
27
|
429.89
|
16
|
|
|
Viniferone A
|
322.27
|
-0.5
|
4
|
8
|
133.52
|
3
|
|
|
2-[(2S)-5-oxo-3-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]-2H-furan-2-yl]acetic acid
|
322.27
|
-0.5
|
4
|
8
|
133.52
|
3
|
|
|
2-[(2R)-5-oxo-3-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]-2H-furan-2-yl]acetic acid
|
322.27
|
-0.5
|
4
|
8
|
133.52
|
3
|
|
|
[(1S,2R,3R,4S,5R,6S,8R,9S,10S,13R,16S,17R,18R)-11-ethyl-9,16,18-trihydroxy-6,8-dimethoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] acetate
|
465.60
|
0.1
|
3
|
8
|
108.69
|
5
|
|
|
[(1S,2R,3R,4S,5R,6S,8R,9S,10S,13S,16S,17R,18S)-11-ethyl-8,9,16-trihydroxy-13-(hydroxymethyl)-6,18-dimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] acetate
|
481.60
|
-1.1
|
4
|
9
|
128.92
|
6
|
|
|
(5R)-Dihydro-5-methyl-5-[(4R,8R)-4,8,12-trimethyltridecyl]-2(3H)-furanone
|
324.50
|
7.9
|
0
|
2
|
26.3
|
12
|
|
|
(1S,3R,5R,7S,10S,11E)-1,10-dihydroxy-3,6,6,10,14-pentamethyltricyclo[10.3.0.05,7]pentadeca-11,14-diene-2,13-dione
|
332.40
|
2.4
|
2
|
4
|
74.6
|
0
|
|
|
(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-[[(1S,2R,5R,7S,10R,11S,14S,15R,16S,17S,20S,22S,24S)-22-hydroxy-6,6,10,14,16,20-hexamethyl-23-oxa-18-azahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosan-7-yl]oxy]-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
1078.20
|
-0.8
|
14
|
23
|
358.09
|
11
|
|
|
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (E)-hex-2-enoate
|
276.28
|
-0.2
|
4
|
7
|
116.45
|
6
|
|
|
[(1S,2R,3R,4S,5R,6S,8R,9S,10S,13S,16S,17R,18S)-11-ethyl-8,9,16-trihydroxy-4,6,18-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl acetate
|
495.60
|
-0.5
|
3
|
9
|
117.92
|
7
|
|
|
[(1S,2R,3R,4S,5R,6S,8R,9S,10S,13S,16S,17R,18S)-11-ethyl-8,9,16-trihydroxy-13-(hydroxymethyl)-6,18-dimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate
|
543.60
|
0.6
|
4
|
9
|
128.92
|
7
|
|
|
(1S,2R,3R,4S,5S,6S,8R,9S,10S,13S,16S,17R,18R)-11-ethyl-6,8-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,9,16,18-tetrol
|
453.60
|
-1.1
|
4
|
8
|
111.85
|
5
|
|
|
(1S,2S,4S,6S,9S,10S,11R,13S,14S,15S,16R,17R,18R,19S)-8-ethyl-11,13,19-trimethoxy-5-oxa-8-azaheptacyclo[8.7.2.114,17.01,9.04,6.06,18.011,16]icosane-2,10,15-triol
|
437.50
|
-1.3
|
3
|
8
|
104.15
|
4
|
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