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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-octadeca-9,12-dienoyloxypropyl] octadec-11-enoate
|
742.00
|
9.9
|
2
|
9
|
144.19
|
40
|
|
|
[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6S)-5-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] (3S,4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-3-[(2E,6S)-6-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2E,6S)-6-hydroxy-2,6-dimethylocta-2,7-dienoyl]oxyoxan-2-yl]oxy-2,6-dimethylocta-2,7-dienoyl]oxy-10-[(2R,3R,4S,5S,6R)-6-[[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-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-carboxylate
|
2144.30
|
-3.8
|
26
|
49
|
761.79
|
38
|
|
|
methyl 2-[(1R,2S,4R,7S,8S,11R,12R,13S)-7-(furan-3-yl)-17-hydroxy-1,8,12,15,15-pentamethyl-5,18-dioxo-3,6,14-trioxapentacyclo[9.7.0.02,4.02,8.012,16]octadec-16-en-13-yl]acetate
|
500.50
|
2
|
1
|
9
|
124.8
|
4
|
|
|
[(2R)-3-octadecanoyloxy-2-octadec-9-enoyloxypropyl] icos-11-enoate
|
915.50
|
24.4
|
0
|
6
|
78.9
|
56
|
|
|
[(2S)-1-hydroxy-3-octadec-11-enoyloxypropan-2-yl] docos-13-enoate
|
677.10
|
16.5
|
1
|
5
|
72.83
|
40
|
|
|
Glyceollin
|
338.40
|
2.5
|
2
|
5
|
68.15
|
0
|
|
|
[(10R,11S,12R,13S,15R)-3,4,5,13,21,22,23-heptahydroxy-8,18-dioxo-11-(3,4,5-trihydroxybenzoyl)oxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-12-yl] 2-[[(11R,12R,14R,15R,37R,38S,40R,57R,58S,64S)-4,5,6,20,21,22,25,26,30,31,32,38,47,48,51,52-hexadecahydroxy-9,17,35,43,55,61-hexaoxo-12,58,64-tris[(3,4,5-trihydroxybenzoyl)oxy]-2,10,13,16,28,36,39,42,56,62-decaoxaundecacyclo[35.15.6.514,27.111,15.03,8.018,23.029,34.040,57.044,49.050,54.024,60]tetrahexaconta-1(52),3,5,7,18,20,22,24,26,29,31,33,44,46,48,50,53,59-octadecaen-46-yl]oxy]-3,4,5-trihydroxybenzoate
|
2505.70
|
4.8
|
38
|
70
|
1166.02
|
17
|
|
|
methyl (2R,6R)-2-methyl-6-[(5R,9R,10R,13S,14S,17S)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]heptanoate
|
470.70
|
8.2
|
0
|
3
|
43.37
|
7
|
|
|
[(2S)-2,3-di(octadeca-9,12-dienoyloxy)propyl] icos-11-enoate
|
909.50
|
22.1
|
0
|
6
|
78.9
|
53
|
|
|
[3,4,5,13,21,22,23-Heptahydroxy-8,18-dioxo-11-(3,4,5-trihydroxybenzoyl)oxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-12-yl] 2-[[4,5,6,22,23,26,27,31,32,33,39,47,48,49,52,53-hexadecahydroxy-9,18,36,44,56,62-hexaoxo-12,13,59-tris[(3,4,5-trihydroxybenzoyl)oxy]-2,10,17,29,37,40,43,57,63,64-decaoxaundecacyclo[39.12.5.414,28.111,15.138,42.03,8.019,24.030,35.045,50.051,55.025,61]tetrahexaconta-1(53),3,5,7,19,21,23,25,27,30,32,34,45,47,49,51,54,60-octadecaen-21-yl]oxy]-3,4,5-trihydroxybenzoate
|
2505.70
|
4.8
|
38
|
70
|
1166.02
|
17
|
|
|
(5-oxido-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl)methanol
|
185.26
|
0.7
|
1
|
2
|
43.29
|
1
|
|
|
(2S,3R,4S,4aR,6aR,6bR,8aS,12aS,14aR,14bR)-8a-[(2S,3R,4S,5S,6R)-4,5-diacetyloxy-3-[(2S,3R,4S,5S,6S)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxycarbonyl-3-[(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-2-hydroxy-6b-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
|
1483.50
|
-3.4
|
17
|
35
|
541.41
|
22
|
|
|
5,7-Dihydroxy-2-(4-hydroxy-3-methoxy-5-methylphenyl)chromen-4-one
|
314.29
|
2.1
|
3
|
6
|
100.13
|
2
|
|
|
[36-[5-[[36-[5-[(7,8,9,12,13,14,28,29,30,33,34,35-Dodecahydroxy-4,17,25,38-tetraoxo-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-20-yl)oxycarbonyl]-2,3-dihydroxyphenoxy]-7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-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(37),33,35-dodecaen-20-yl]oxycarbonyl]-2,3-dihydroxyphenoxy]-7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-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(37),33,35-dodecaen-20-yl] 3,4,5-trihydroxybenzoate
|
2805.90
|
6.2
|
43
|
78
|
1310.54
|
13
|
|
|
[(2R)-3-[[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-octadec-11-enoyloxypropyl] octadecanoate
|
1008.20
|
10.9
|
5
|
15
|
285.11
|
45
|
|
|
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-octadeca-9,12,15-trienoyloxypropan-2-yl] docos-13-enoate
|
796.10
|
11.4
|
2
|
9
|
144.19
|
43
|
|
|
[(2R)-1-[[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3-hexadecanoyloxypropan-2-yl] octadec-11-enoate
|
980.10
|
9.8
|
5
|
15
|
285.11
|
43
|
|
|
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-5-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-[[(1S,2S,4S,6R,7S,8R,9S,12S,13R,16S)-6-hydroxy-7,9,13-trimethyl-6-[(3S)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
1521.60
|
-7
|
22
|
37
|
583.51
|
23
|
|
|
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-5-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-[[(1S,2S,4S,6R,7S,8R,9S,12S,13R,16S)-6-hydroxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
1521.60
|
-7
|
22
|
37
|
583.51
|
23
|
|
|
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-octadec-11-enoyloxypropan-2-yl] docos-13-enoate
|
800.10
|
12.7
|
2
|
9
|
144.19
|
45
|
|
|
(1R,4S,5R,8S,9R,10R,11R,12S,13S)-9,12,13-trihydroxy-4,11,15-trimethyl-3,7-dioxapentacyclo[8.8.0.01,5.04,8.011,16]octadeca-14,16-diene-6,18-dione
|
362.40
|
-1.7
|
3
|
7
|
113.29
|
0
|
|
|
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-octadeca-9,12,15-trienoyloxypropyl] octadeca-6,9,12-trienoate
|
736.00
|
7.8
|
2
|
9
|
144.19
|
37
|
|
|
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-octadeca-9,12,15-trienoyloxypropan-2-yl] icos-11-enoate
|
768.10
|
10.3
|
2
|
9
|
144.19
|
41
|
|
|
[(2R)-3-[[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-octadec-9-enoyloxypropyl] octadecanoate
|
1008.20
|
10.9
|
5
|
15
|
285.11
|
45
|
|
|
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-octadeca-9,12-dienoyloxypropan-2-yl] docosanoate
|
800.10
|
13
|
2
|
9
|
144.19
|
45
|
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