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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
1-O-[(2S,3S,6R)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-3-yl] 4-O-methyl (2R,3S)-2,3-dihydroxy-2-(4-methylpentyl)butanedioate
|
545.60
|
1.8
|
2
|
10
|
123.99
|
11
|
|
|
Aristophyll A
|
566.70
|
5.6
|
2
|
6
|
109.96
|
8
|
|
|
Justicidinoside B
|
572.50
|
1.8
|
4
|
13
|
171.83
|
7
|
|
|
[(3S,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] 3-(4-hydroxyphenyl)propanoate
|
574.90
|
11.3
|
1
|
3
|
46.53
|
5
|
|
|
Gardnerilin B
|
582.90
|
10.1
|
4
|
6
|
107.22
|
29
|
|
|
(3S,5R)-5-[(6R,11R)-6,11-dihydroxy-11-[(2R,5R)-5-[(1S)-1-hydroxytridecyl]oxolan-2-yl]undecyl]-3-(2-oxopropyl)oxolan-2-one
|
596.90
|
8.1
|
3
|
7
|
113.29
|
26
|
|
|
Ethyl beta-carboline-3-carboxylate
|
240.26
|
2.9
|
1
|
3
|
54.98
|
3
|
|
|
Gardnerilin A
|
614.90
|
7.6
|
6
|
8
|
147.68
|
29
|
|
|
(2R)-4-[(2R)-2-hydroxy-9-[(2R,5S)-5-[(Z,1S,4S,5S)-1,4,5-trihydroxynonadec-8-enyl]oxolan-2-yl]nonyl]-2-methyl-2H-furan-5-one
|
622.90
|
9.1
|
4
|
7
|
116.45
|
27
|
|
|
Cryptophycin 28
|
625.10
|
6.7
|
2
|
7
|
120.03
|
8
|
|
|
[(1S,14S)-21-hydroxy-20,25-dimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-9-yl] acetate
|
636.70
|
5.8
|
1
|
9
|
89.93
|
4
|
|
|
Purpurenin
|
638.90
|
7.4
|
4
|
8
|
125.68
|
25
|
|
|
Cryptophycin 21
|
641.10
|
5.6
|
2
|
8
|
132.56
|
8
|
|
|
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-4,5,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-3H-picene-4a-carboxylate
|
648.80
|
2.7
|
7
|
10
|
177.14
|
5
|
|
|
Coagulin L
|
650.80
|
-0.4
|
7
|
12
|
203.44
|
5
|
|
|
(2S)-3-[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2-[(E)-3-[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoyl]oxypropanoic acid
|
684.60
|
-1.2
|
11
|
18
|
302.82
|
13
|
|
|
(4R,12R,13S,14S,16S,18R)-4,12,14-tris(4-hydroxyphenyl)-16-[2-(4-hydroxyphenyl)ethyl]-8-methoxy-3,11,15-trioxatetracyclo[8.8.0.02,7.013,18]octadeca-1,7,9-trien-6-one
|
686.70
|
6.9
|
4
|
9
|
134.91
|
7
|
|
|
Capsoside A
|
694.80
|
2.2
|
7
|
15
|
231.13
|
25
|
|
|
beta-N-Methylamino-L-alanine
|
118.13
|
-3.8
|
3
|
4
|
75.35
|
3
|
|
|
[(2S,3R,4S,5R,6S)-6-[(2S,3R,4S,5S)-4,5-dihydroxy-2-[(1S,2S,3'S,4S,4'S,6S,7S,8R,9S,12S,13R,14R,16R)-3',4',16-trihydroxy-7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl] acetate
|
780.90
|
-0.1
|
7
|
15
|
223.29
|
6
|
|
|
[(2S)-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] (Z)-octadec-9-enoate
|
781.10
|
12.1
|
4
|
10
|
151.98
|
38
|
|
|
Nostocyclopeptide A2
|
790.90
|
1.3
|
8
|
10
|
261.72
|
10
|
|
|
(3S,4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxy-3,5-dihydroxy-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
|
824.00
|
1.9
|
9
|
14
|
244.93
|
7
|
|
|
2'',3''-Dihydrocephalomannine; N-Debenzoyl-N-a-methylbutyrylpaclitaxel
|
833.90
|
2.2
|
4
|
14
|
221.29
|
15
|
|
|
Nepalensinol F
|
906.90
|
9.1
|
10
|
12
|
220.76
|
5
|
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