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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(4E,6S,7R,12E)-tetradeca-4,12-dien-8,10-diyne-1,6,7-triol
|
234.29
|
1
|
3
|
3
|
60.69
|
6
|
|
|
(2R,3R,4S,5R,6R)-2-[(4E,6R,7S,12E)-1,7-dihydroxytetradeca-4,12-dien-8,10-diyn-6-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
396.40
|
-0.6
|
6
|
8
|
139.84
|
9
|
|
|
(2R,3R,4S,5S,6R)-2-[[(2S,3S,4R,5S,6S)-6-[(4E,6S,7S,12E)-1,7-dihydroxytetradeca-4,12-dien-8,10-diyn-6-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
558.60
|
-2.7
|
9
|
13
|
218.99
|
12
|
|
|
(1S,4aS,6S,7R,7aR)-6-hydroxy-7-methyl-1-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
|
376.36
|
-1.7
|
6
|
10
|
166.14
|
4
|
|
|
(2S,3R,6S,8S,9R,10R,12R,13S,16S,22S,26R)-9,13-dihydroxy-8-(2-hydroxypropan-2-yl)-2,3,23,23,25,25-hexamethyl-7,11,24-trioxa-32-azanonacyclo[16.14.0.02,16.03,13.06,12.010,12.019,31.020,28.022,26]dotriaconta-1(18),19(31),20(28),29-tetraen-27-one
|
619.80
|
3.9
|
4
|
7
|
124.54
|
1
|
|
|
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(2R,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
1075.20
|
-0.3
|
13
|
22
|
353.9
|
12
|
|
|
bis[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl] (2R,3S)-2-[(2S)-butan-2-yl]-2,3-dihydroxybutanedioate
|
742.70
|
-1.1
|
10
|
18
|
291.82
|
17
|
|
|
(2R)-2-methyl-2-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanenitrile
|
261.27
|
-1.1
|
4
|
7
|
123.17
|
4
|
|
|
(8S)-3-(2,4-dihydroxyphenyl)-5-hydroxy-8-(2-hydroxypropan-2-yl)-8,9-dihydrofuro[2,3-h]chromen-4-one
|
370.40
|
2.7
|
4
|
7
|
120.36
|
2
|
|
|
2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
|
594.50
|
-1.1
|
9
|
15
|
249.2
|
6
|
|
|
[(2R,3R,4S,5R,6R)-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3-hydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
|
756.70
|
-1.7
|
11
|
19
|
304.21
|
14
|
|
|
[(1S,4aS,6S,7R,7aS)-7-hydroxy-4,7-bis(hydroxymethyl)-6-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl] (3S)-3-methylpentanoate
|
476.50
|
1.7
|
4
|
9
|
142.75
|
11
|
|
|
[(1S,4aS,6S,7R,7aS)-6,7-dihydroxy-4-(hydroxymethyl)-7-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl] (3S)-3-methylpentanoate
|
476.50
|
1.7
|
4
|
9
|
142.75
|
11
|
|
|
(2R,5S,11S,14R)-11-(hydroxymethyl)-2-[[(2R)-3-(4-hydroxyphenyl)-2-[[(2S)-1-[(2R)-5-oxopyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3,6,9,12-tetraoxo-5-propan-2-yl-1,4,7,10,13-pentazatricyclo[14.6.1.017,22]tricosa-16(23),17,19,21-tetraene-14-carboxylic acid
|
873.90
|
0.3
|
10
|
12
|
306.7
|
10
|
|
|
(1S,6R,8S,9R,11R,12S,15S,16R,19R,20S,21R)-8,9,19-trihydroxy-20-(hydroxymethyl)-1,7,7,11,16,20-hexamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-3-en-5-one
|
488.70
|
4.8
|
4
|
5
|
97.99
|
1
|
|
|
[(1R,2S,3'R,4S,5'S,6R,7S,8R,9S,12S,13S,16S,18S)-16-[(2R,3R,4S,5R,6R)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-piperidine]-3'-yl] acetate
|
1092.20
|
-1.1
|
13
|
24
|
364.16
|
13
|
|
|
[(1R,2S,3'S,4S,4'R,5'S,6S,7S,8R,9S,12S,13S,16S,18S)-16-[(2R,3R,4S,5R,6R)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-5',7,9,13-tetramethyl-4'-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-piperidine]-3'-yl] acetate
|
1270.40
|
-3.6
|
17
|
30
|
463.54
|
16
|
|
|
Lycoperoside H
|
1050.20
|
-1.6
|
14
|
23
|
358.09
|
11
|
|
|
[(1S,12S,13R,16S,17R,18S)-3,16,20-trimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4,6,8-tetraen-17-yl]methanol
|
340.50
|
2.3
|
1
|
3
|
37.63
|
1
|
|
|
(3R)-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(3,4,5-trimethoxyphenyl)-3,4-dihydroisochromen-1-one
|
492.50
|
1.1
|
4
|
11
|
153.37
|
7
|
|
|
(2R,3S,4R,5S,6S)-2-[4-[(3R,3aS,6R,6aS)-6-hydroxy-6-(4-hydroxy-3,5-dimethoxyphenyl)-3,3a,4,6a-tetrahydro-1H-furo[3,4-c]furan-3-yl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
596.60
|
-0.3
|
6
|
14
|
195.22
|
9
|
|
|
methyl (1S,4aS,6S)-6-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6-tetrahydrocyclopenta[c]pyran-4-carboxylate
|
388.40
|
-2.6
|
5
|
10
|
155.14
|
5
|
|
|
Gal(a1-4)a-Alt
|
342.30
|
-4.7
|
8
|
11
|
189.53
|
4
|
|
|
(2S,3S,4R,5S)-2-[5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-3-yl]oxyoxane-3,4,5-triol
|
463.40
|
|
6
|
10
|
169.6
|
5
|
|
|
(2S,3S,4R,5R,6R)-2-[7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxy-6-methyloxane-3,4,5-triol
|
639.60
|
|
9
|
15
|
248.75
|
8
|
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