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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(10R,11R,13R,14R,15S)-3,4,5,11,20,21,22-heptahydroxy-8,17-dioxo-13-[(3,4,5-trihydroxybenzoyl)oxymethyl]-9,12,16-trioxatetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,18,20-hexaen-14-yl] 3,4,5-trihydroxy-2-[[(1R,2S,19R,20S,22R)-7,8,9,12,13,28,29,30,33,34,35-undecahydroxy-4,17,25,38-tetraoxo-20-(3,4,5-trihydroxybenzoyl)oxy-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-14-yl]oxy]benzoate
|
1721.20
|
3.3
|
27
|
48
|
810.6
|
12
|
|
|
[(1S,2R,5R,6S)-5,6-diacetyloxy-1,2-dihydroxycyclohex-3-en-1-yl]methyl benzoate
|
364.30
|
0.4
|
2
|
8
|
119.36
|
8
|
|
|
3-[(1S,3R,6R,7R,10R,11S,14S,16R)-14-[(2R,3R,4R,5S,6R)-3-hydroxy-4-methoxy-6-methyl-5-[(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]oxyoxan-2-yl]oxy-7,11-dimethyl-2-oxapentacyclo[8.8.0.01,3.03,7.011,16]octadecan-6-yl]-2H-furan-5-one
|
856.90
|
-1.6
|
8
|
18
|
265.28
|
10
|
|
|
(1R,2S,3S,4S,5S,8S,9S,12R,13R)-5-hydroxy-13-(hydroxymethyl)-4,8-dimethyltetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylic acid
|
366.40
|
2.5
|
4
|
6
|
115.06
|
3
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8a-[(2S,3R,4S,5R)-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxycarbonyl-8-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
|
1105.20
|
0.6
|
14
|
24
|
391.2
|
12
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8-hydroxy-8a-[(2S,3R,4S,5R)-5-hydroxy-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxycarbonyl-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
|
1251.40
|
2.9
|
14
|
26
|
417.5
|
16
|
|
|
[(1R,2R,3S,4S,5R,6S,8R,9R,10S,13S,16S,17S,18S)-8,9-dihydroxy-4,6,16,18-tetramethyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadec-11-en-13-yl]methyl 2-aminobenzoate
|
492.60
|
4
|
3
|
6
|
105.14
|
4
|
|
|
2-[(1S,2S,4aR,4bS,6aR,12aR)-1,4a,4b,6a,9,9-hexamethyl-2-propan-2-yl-3,4,5,6,7,8,10,11,12,12a-decahydro-2H-chrysen-1-yl]acetaldehyde
|
412.70
|
8.6
|
0
|
1
|
17.07
|
3
|
|
|
2-[(1S,2S,4aR,4bS,6aR,12aR)-1,4a,4b,6a,9,9-hexamethyl-2-propan-2-yl-3,4,5,6,7,8,10,11,12,12a-decahydro-2H-chrysen-1-yl]ethanol
|
414.70
|
8.8
|
1
|
1
|
20.23
|
3
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8a-[(2S,3R,4S,5R)-4,5-dihydroxy-3-[(E)-3-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoyl]oxyoxan-2-yl]oxycarbonyl-8-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-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
|
1119.20
|
4.3
|
11
|
22
|
347.58
|
14
|
|
|
2-Propenoic acid, 3-[4-[(3,7-dimethyl-2,6-octadienyl)oxy]-2-hydroxyphenyl]-, 1-(1-hydroxy-1-methylethyl)-4-methyl-6-[(2-oxo-2H-1-benzopyran-7-yl)oxy]-4-hexenyl ester, [R-(E,E,E)]-
|
630.80
|
8.6
|
2
|
8
|
115.43
|
17
|
|
|
1,6-dimethyl-10,11-dioxo-7H-naphtho[1,2-g][1]benzofuran-6-carbaldehyde
|
306.30
|
2.7
|
0
|
4
|
64.35
|
1
|
|
|
(5Z,8Z)-1,5,8-Heptadecatriene
|
234.40
|
7.3
|
0
|
0
|
0
|
12
|
|
|
(3S,8aS)-3-ethyl-8a-hydroxy-3,6,6,8,8-pentamethyl-1,2-benzodioxine-5,7-dione
|
282.33
|
1.7
|
1
|
5
|
72.83
|
1
|
|
|
1,5-Dihydroxy-6,7-dimethoxyxanthone
|
288.25
|
2.7
|
2
|
6
|
89.13
|
2
|
|
|
(1R,2S)-1-(3,4-dihydroxyphenyl)-6,7-dihydroxy-2-N,3-N-bis[2-(4-hydroxyphenyl)ethyl]-1,2-dihydronaphthalene-2,3-dicarboxamide
|
596.60
|
4.2
|
8
|
8
|
179.58
|
9
|
|
|
(1R,2S)-1-(3,4-dihydroxyphenyl)-7-hydroxy-2-N,3-N-bis[2-(4-hydroxyphenyl)ethyl]-6-methoxy-1,2-dihydronaphthalene-2,3-dicarboxamide
|
610.70
|
4.6
|
7
|
8
|
168.58
|
10
|
|
|
(1S,2R,3R,4S,5S,6S,8R,9S,10S,13S,16S,17R,18S)-11-ethyl-6,8,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,9,16-triol
|
467.60
|
-0.6
|
3
|
8
|
100.85
|
6
|
|
|
(1S,2R,3R,4S,5S,6R,8R,9R,10S,13R,16S,17R)-11-ethyl-6-methoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,9,16-tetrol
|
393.50
|
0
|
4
|
6
|
93.39
|
2
|
|
|
[(1S,2R,3R,4S,5R,6S,8R,9S,10S,13S,16S,17R,18S)-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadec-11-en-13-yl]methyl 2-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzoate
|
652.70
|
-0.3
|
2
|
11
|
153.42
|
9
|
|
|
[(1S,2R,3R,4S,5S,6S,8R,9S,10S,13S,16S,17R,18S)-11-ethyl-4,8,9-trihydroxy-6,16,18-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzoate
|
668.80
|
0.5
|
3
|
11
|
155.3
|
9
|
|
|
[(1S,2R,3R,4S,5R,6S,8R,9S,10S,13S,16S,17R,18S)-4-acetyloxy-11-ethyl-8,9-dihydroxy-6,16,18-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzoate
|
710.80
|
1
|
2
|
12
|
161.37
|
11
|
|
|
[(1S,2R,3R,4S,5R,6S,8R,9S,10S,13R,16S,17S,18S)-8,9-dihydroxy-4,6,16,18-tetramethoxy-12-oxo-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzoate
|
668.70
|
-0.4
|
3
|
11
|
170.16
|
9
|
|
|
[(1R,8S)-4-oxido-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-1-yl]methyl 2-hydroxy-2-(1-hydroxyethyl)-3-methylpentanoate
|
315.40
|
1.2
|
2
|
5
|
89.82
|
7
|
|
|
(2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6S)-6-[(2R,3R,4R,5R,6R)-6-[[(1S,3R,6S,8R,11S,12S,15R,16R)-15-[(Z,2S)-3,7-dihydroxy-6-methylhept-5-en-2-yl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-4,5-dihydroxy-2-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol
|
913.10
|
3
|
10
|
16
|
257.68
|
12
|
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