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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1R,2R,4R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-1,10-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-4-(3-methylbut-2-enoyloxy)-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
570.80
|
7
|
3
|
6
|
104.06
|
4
|
|
|
(1R,2S,6S,10R,11S,14S,15R,18R,20S)-20-hydroxy-8,8,14,15,19,19-hexamethyl-10-(3-methylbut-2-enoyloxy)-3-oxo-21-oxahexacyclo[18.2.2.01,18.02,15.05,14.06,11]tetracos-4-ene-11-carboxylic acid
|
582.80
|
6.3
|
2
|
7
|
110.13
|
4
|
|
|
heptacosyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
572.90
|
15.5
|
1
|
4
|
55.76
|
30
|
|
|
2-(dimethylamino)-N-[(10Z)-7-(2-methylpropyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]propanamide
|
458.60
|
3.7
|
3
|
5
|
99.77
|
6
|
|
|
[6-hydroxy-7,7-dimethyl-5-oxo-3-[(5R,7R,8R,9R,10S,11R,13S,16R,17S)-7,11,16-trihydroxy-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]oxepan-2-yl] acetate
|
574.70
|
1.8
|
4
|
9
|
150.59
|
3
|
|
|
Mulberrofuran S
|
576.50
|
4.5
|
6
|
9
|
152.98
|
2
|
|
|
galloyl(-4)[galloyl(-6)]Glc(b)-O-Ph(4-OH)
|
576.50
|
1.2
|
9
|
15
|
253.13
|
9
|
|
|
(21S)-13,27-dimethoxy-22-methyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.216,19.14,30.110,14.03,8.025,33.028,32]heptatriaconta-1(30),2,4(34),7,10(37),11,13,16,18,25(33),26,28(32),35-tridecaen-26-ol
|
576.60
|
5.4
|
1
|
8
|
81.98
|
2
|
|
|
(21S)-13,27-dimethoxy-22-methyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.216,19.14,30.110,14.03,8.025,33.028,32]heptatriaconta-1(30),2,4(34),5,7,10(37),11,13,16,18,25(33),26,28(32),35-tetradecaen-26-ol
|
574.60
|
6.3
|
1
|
8
|
82.51
|
2
|
|
|
[(6S,7R,8R,9S,11R,12S,14R,15S,16R)-6-benzamido-15-[(1S)-1-(dimethylamino)ethyl]-7-formyl-9-hydroxy-7,12,16-trimethyl-14-tetracyclo[9.7.0.03,8.012,16]octadeca-1(18),3-dienyl] acetate
|
576.80
|
4.5
|
2
|
6
|
95.94
|
7
|
|
|
(1'S,2S,4R,4'R,9'R,10'R,13'R)-5',5',9'-trimethyl-2-[(1S,4R,9R,10R,13R,14R)-5,5,9-trimethyl-14-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]spiro[1,3-dioxolane-4,14'-tetracyclo[11.2.1.01,10.04,9]hexadecane]
|
576.90
|
12.7
|
0
|
2
|
18.46
|
1
|
|
|
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
578.50
|
3.2
|
6
|
12
|
196.35
|
8
|
|
|
4''-O-(4-Hydroxycinnaamoyl)afzelin
|
578.50
|
3.5
|
6
|
12
|
196.35
|
7
|
|
|
Vitexin 2''-O-p-coumarate
|
578.50
|
2.5
|
7
|
12
|
207.35
|
7
|
|
|
3,5-dihydroxy-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-[4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]chromen-4-one
|
578.50
|
-0.1
|
8
|
14
|
228.97
|
5
|
|
|
1,8-dihydroxy-2-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxyanthracene-9,10-dione
|
578.50
|
-0.7
|
8
|
14
|
232.9
|
5
|
|
|
1-hydroxy-3-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyanthracene-9,10-dione
|
578.50
|
-0.9
|
8
|
14
|
232.9
|
6
|
|
|
(2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[[(1R,2S,4S,6R,7S,8R,9S,12S,13S,16S,18R)-6-methoxy-7,9,13-trimethyl-6-[(3S)-3-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-16-yl]oxy]-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
1081.20
|
-0.4
|
13
|
23
|
355.29
|
16
|
|
|
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-2-[(1R,2S,4S,5'S,6R,7S,8R,9S,12S,13S,16S,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
887.10
|
1.7
|
9
|
17
|
255.91
|
8
|
|
|
2-(3,4-dihydroxyphenyl)-5-hydroxy-8-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
|
578.50
|
-1
|
9
|
14
|
239.97
|
4
|
|
|
Isoviolanthin
|
578.50
|
-1.8
|
10
|
14
|
250.97
|
4
|
|
|
[7-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-3-(4-hydroxy-3,5-dimethoxyphenyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,8-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,9-pentaen-11-ylidene]oxidanium
|
805.70
|
0.3
|
11
|
17
|
296.13
|
8
|
|
|
[7-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-3-(4-hydroxy-3,5-dimethoxyphenyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,8-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,9-pentaen-11-ylidene]oxidanium
|
805.70
|
0.3
|
11
|
17
|
296.13
|
8
|
|
|
(8R,21S)-13,27-dimethoxy-22-methyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.216,19.14,30.110,14.03,8.025,33.028,32]heptatriaconta-1(30),2,4(34),10(37),11,13,16,18,25(33),26,28(32),35-dodecaen-26-ol
|
578.70
|
5.5
|
2
|
8
|
81.65
|
2
|
|
|
(2E,4E,10E)-11-(1,3-benzodioxol-5-yl)-N-propan-2-ylundeca-2,4,10-trienamide
|
341.40
|
5.6
|
1
|
3
|
47.56
|
9
|
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