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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(2S,3R,4S,5S,6R)-2-[3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
932.80
|
0.1
|
12
|
23
|
363.88
|
14
|
|
|
(2S,3R,4S,4aR,6aR,6bR,8aS,12aS,14aR,14bR)-8a-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxycarbonyl-2-hydroxy-6b-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
|
1237.30
|
-2.9
|
16
|
28
|
450.12
|
15
|
|
|
Pisatin
|
314.29
|
1.7
|
1
|
6
|
66.38
|
1
|
|
|
(1R,3R,5S,6R,7S)-3-[[(4aS,5R,8R,8aS)-5-hydroperoxy-5-methyl-8-propan-2-yl-4,4a,6,7,8,8a-hexahydro-3H-naphthalen-2-yl]methyl]-6-methyl-1,3,7-tris(3-methylbut-2-enyl)-6-(4-methylpent-3-enyl)-5-(2-methylpropanoyl)bicyclo[3.3.1]nonane-2,4,9-trione
|
773.10
|
12.9
|
1
|
6
|
97.74
|
15
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,8S,8aR,9S,12aS,14aR,14bR)-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-9-[(E)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
|
911.10
|
3.4
|
10
|
17
|
282.59
|
11
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,8S,8aS,9S,12aS,14aR,14bR)-8,9-dihydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
|
829.00
|
1.6
|
11
|
16
|
276.52
|
8
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,8S,8aR,9S,12aS,14aR,14bR)-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-9-[(E)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
|
748.90
|
5
|
7
|
12
|
203.44
|
8
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,8S,8aS,9S,12aS,14aR,14bR)-8,9-dihydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
|
666.80
|
3.2
|
8
|
11
|
197.37
|
5
|
|
|
(2S,3R,4S,5S,6R)-2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
574.80
|
7
|
4
|
6
|
99.38
|
8
|
|
|
methyl (2E,4Z,6E,8E,10E,12E,14E,16E,18E,20E)-4,8,13,17,21,25-hexamethylhexacosa-2,4,6,8,10,12,14,16,18,20,24-undecaenoate
|
472.70
|
11.7
|
0
|
2
|
26.3
|
14
|
|
|
(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-[(1R,2S,4S,5'S,6R,7S,8S,9S,12S,13R,16S)-8-hydroxy-5'-(hydroxymethyl)-7,9,13-trimethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
933.00
|
-2.1
|
12
|
20
|
316.6
|
10
|
|
|
(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-[(1R,2S,4S,5'S,6R,7S,8S,9S,12S,13S,16S,18S)-8-hydroxy-5'-(hydroxymethyl)-7,9,13-trimethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
935.10
|
-1.3
|
12
|
20
|
316.6
|
10
|
|
|
Garciduol A
|
486.40
|
5.2
|
5
|
9
|
157.66
|
4
|
|
|
Garciduol B
|
502.40
|
4.9
|
6
|
10
|
177.89
|
4
|
|
|
(1R,2S,3S,4S,6R,7S,9R,13S,17S)-3-hydroxy-4-methoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-14-ene-11,16-dione
|
362.50
|
1.9
|
1
|
5
|
72.83
|
1
|
|
|
[(1S,2S,4S,7S,8R,9R,10S,11R,12R,18S,19R,20S)-9,10,20-triacetyloxy-7-(furan-3-yl)-1,8,12,17,17-pentamethyl-5,15-dioxo-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icos-13-en-19-yl] acetate
|
672.70
|
2.7
|
0
|
14
|
183.47
|
9
|
|
|
Cycloeucalenol
|
426.70
|
9.9
|
1
|
1
|
20.23
|
5
|
|
|
6-[(3R)-3,7-dimethylocta-1,6-dien-3-yl]-7-hydroxychromen-2-one
|
298.40
|
5.5
|
1
|
3
|
50.44
|
5
|
|
|
6-[(3S)-3,7-dimethylocta-1,6-dien-3-yl]-7-hydroxychromen-2-one
|
298.40
|
5.5
|
1
|
3
|
50.44
|
5
|
|
|
(1S,3R,6S,8R,11S,12S,15R,16R)-15-[(Z,2R)-6-hydroxy-6-methylhept-4-en-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
|
442.70
|
8
|
2
|
2
|
40.46
|
4
|
|
|
(4bS,8aS,10R)-3-methoxy-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthrene-4,10-diol
|
332.50
|
5.4
|
2
|
3
|
49.69
|
2
|
|
|
[(1R,4R,5R,7S,8R,9R,10R,11S,12R)-10-[(3R,5S)-5-acetyloxy-3-(furan-3-yl)-2-methylcyclopenten-1-yl]-9-(2-methoxy-2-oxoethyl)-4,8,10-trimethyl-7,11-bis[[(E)-2-methylbut-2-enoyl]oxy]-2-oxatricyclo[6.3.1.04,12]dodecan-5-yl] (E)-2-methylbut-2-enoate
|
778.90
|
6.5
|
0
|
12
|
153.87
|
16
|
|
|
[(1R,4R,5R,7S,8R,9R,10R,11S,12R)-10-[(3R,5S)-5-acetyloxy-3-(furan-3-yl)-2-methylcyclopenten-1-yl]-9-(2-methoxy-2-oxoethyl)-4,8,10-trimethyl-7-[(E)-2-methylbut-2-enoyl]oxy-11-(2-methylpropanoyloxy)-2-oxatricyclo[6.3.1.04,12]dodecan-5-yl] (E)-2-methylbut-2-enoate
|
766.90
|
6.3
|
0
|
12
|
153.87
|
16
|
|
|
7,14-dimethoxy-6,13-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione
|
654.50
|
-1.9
|
8
|
18
|
277.64
|
8
|
|
|
3,4-Dihydro-2,6,9-trihydroxy-8-methyl-1(2 h)-anthracenone
|
258.27
|
2.9
|
3
|
4
|
77.76
|
0
|
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