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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
2-[(1S,2R,5R,7R,9S,10R,12R)-9-hydroxy-11,11-dimethyl-8,15-dioxo-13-oxatetracyclo[10.2.2.01,10.02,7]hexadecan-5-yl]prop-2-enoic acid
|
362.40
|
1.3
|
2
|
6
|
100.9
|
2
|
|
|
methyl (1S,15R,17S,18S)-17-[(1S)-1-hydroxyethyl]-6-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate
|
384.50
|
2.4
|
2
|
5
|
74.79
|
4
|
|
|
9-Hydroxy-cis-11-octadecenoic acid
|
298.50
|
5.7
|
2
|
3
|
57.53
|
15
|
|
|
(3aS,6S,8aS)-7-[(3S)-3-hydroxybutyl]-6-methyl-3,3a,4,5,6,8a-hexahydrocyclohepta[b]furan-2-one
|
238.32
|
2
|
1
|
3
|
46.53
|
3
|
|
|
(1S,4R,5R,9R,10S,13R)-5,9,13-trimethyl-14-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carbaldehyde
|
302.50
|
4.3
|
0
|
2
|
34.14
|
1
|
|
|
[(1R,4S,9S,10R,13R,14R)-5,5,9,13-tetramethyl-15-oxatetracyclo[11.2.1.01,10.04,9]hexadecan-14-yl]methanol
|
306.50
|
4.9
|
1
|
2
|
29.46
|
1
|
|
|
(15R,16S,17S)-15-ethyl-11-methyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene-16,17-diol
|
328.40
|
2.3
|
2
|
3
|
48.63
|
1
|
|
|
(3S,4S,6R,11R)-3-ethyl-11-hydroxy-5-oxa-8,18-diazapentacyclo[9.7.1.13,8.04,6.012,17]icosa-1(18),12,14,16-tetraen-19-one
|
326.40
|
0.8
|
1
|
5
|
65.43
|
1
|
|
|
6-[(1S,3aR,4S,6aR)-4-(1,3-Benzodioxol-5-yl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-1,3-benzodioxol-5-yl 2-O-I(2)-D-glucopyranosyl-I(2)-D-glucopyranoside
|
694.60
|
-1.1
|
7
|
17
|
233.91
|
8
|
|
|
1-[(1S,4R,5R,6S,7S,9S,11S,12S,15R,17S,20R)-17-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-9-methoxy-4,6,11,16,16-pentamethyl-8-oxahexacyclo[10.9.0.01,20.04,11.05,9.015,20]henicosan-7-yl]-3-methyl-4-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutan-2-one
|
989.10
|
0.8
|
11
|
20
|
313.44
|
14
|
|
|
1-[(1S,4R,5R,6S,7S,9S,11S,12S,15R,17S,20R)-17-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-9-methoxy-4,6,11,16,16-pentamethyl-8-oxahexacyclo[10.9.0.01,20.04,11.05,9.015,20]henicosan-7-yl]-3-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutan-2-one
|
989.10
|
0.8
|
11
|
20
|
313.44
|
14
|
|
|
1-[(1S,4R,5R,6S,7S,9S,11S,12S,15R,17S,20R)-17-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-9-methoxy-4,6,11,16,16-pentamethyl-8-oxahexacyclo[10.9.0.01,20.04,11.05,9.015,20]henicosan-7-yl]-3-hydroxy-3-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutan-2-one
|
1005.10
|
-0.2
|
12
|
21
|
333.67
|
14
|
|
|
1-[(1S,4R,5R,6S,7S,9S,11S,12S,15R,17S,20R)-17-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-9-methoxy-4,6,11,16,16-pentamethyl-8-oxahexacyclo[10.9.0.01,20.04,11.05,9.015,20]henicosan-7-yl]-3,4-dihydroxy-3-methylbutan-2-one
|
843.00
|
1.4
|
9
|
16
|
254.52
|
11
|
|
|
(4aS,6R,8aS)-4,8a-dimethyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-1,4a,5,6,7,8-hexahydronaphthalen-2-one
|
576.60
|
-1.4
|
8
|
13
|
215.83
|
7
|
|
|
(2S,3R,4S,5S,6R)-2-[2-[(1S,3R,4S)-3,4-dihydroxy-4-methylcyclohexyl]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
350.40
|
-1.4
|
6
|
8
|
139.84
|
4
|
|
|
[(2S,3R,4S,5R,6R)-6-[[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxy-5-methoxyphenyl)-7-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-2-methyloxan-3-yl] 3-(4-hydroxyphenyl)prop-2-enoate
|
933.80
|
|
13
|
22
|
365.2
|
14
|
|
|
(3S,4S,15Z)-4,8-dihydroxy-3-(hydroxymethyl)-7-methoxy-2,10-dioxa-18,23-diazapentacyclo[19.5.2.211,14.15,9.024,28]hentriaconta-1(27),5(31),6,8,11,13,15,21,24(28),25,29-undecaen-17-one
|
516.50
|
3.8
|
5
|
7
|
133.27
|
2
|
|
|
(3S,4aS,6aR,6bS,9S,10aR,11aS,11bR)-9-[(1S)-1-(1,5-dimethylpiperidin-2-yl)ethyl]-10a,11b-dimethyl-2,3,4,4a,5,6,6a,6b,9,10,11,11a-dodecahydro-1H-benzo[a]fluorene-3,5-diol
|
429.70
|
5.8
|
2
|
3
|
43.7
|
2
|
|
|
(4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]peroxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-5-[(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-carboxylic acid
|
975.10
|
1.6
|
12
|
20
|
324.44
|
11
|
|
|
methyl (1S,4aS,7R,7aS)-7-(hydroxymethyl)-7-methoxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylate
|
418.40
|
-2.3
|
5
|
11
|
164.37
|
7
|
|
|
2-(3,4-dihydroxyphenyl)-5-hydroxy-3,6-dimethoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
508.40
|
0.7
|
7
|
13
|
208.74
|
6
|
|
|
(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18R)-16-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one
|
754.90
|
1.6
|
7
|
14
|
214.06
|
6
|
|
|
[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
|
478.40
|
0
|
6
|
11
|
175.37
|
9
|
|
|
(4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]peroxyoxan-2-yl]oxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
813.00
|
3.7
|
9
|
15
|
245.29
|
8
|
|
|
(4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-5,10-bis[[(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-carboxylic acid
|
797.00
|
3.1
|
9
|
14
|
236.06
|
7
|
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