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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Proto-Gracillin
|
1065.20
|
-1.2
|
14
|
23
|
366.29
|
15
|
|
|
Ambap51542-56-4
|
947.20
|
1.6
|
12
|
18
|
298.14
|
12
|
|
|
Ambap80418-24-2
|
933.10
|
1.1
|
12
|
18
|
298.14
|
12
|
|
|
[(2S,3R,4R,5S,6S)-3-acetyloxy-2-[[(1S,2R,5R,7S,10R,11R,15S,16S,18R,20S)-7-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,6,6,10,16-pentamethyl-18-(2-methylprop-1-enyl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-16-yl]oxy]-5-hydroxy-6-methyloxan-4-yl] acetate
|
981.20
|
3.7
|
6
|
18
|
247.82
|
11
|
|
|
Ambap17754-44-8
|
803.00
|
|
3
|
16
|
272.14
|
10
|
|
|
[(4S,8R,9S,9bS)-9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] (2S)-3-chloro-2-hydroxy-2-methylpropanoate
|
435.30
|
0.8
|
3
|
7
|
113.29
|
5
|
|
|
2-[(1S,5S,6R)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methyl-cyclohex-2-en-1-yl]-1,3,8,10a-tetrahydroxy-5a-(3-methylbut-2-enyl)benzofuro[3,2-b]chromen-11-one
|
708.70
|
6.3
|
8
|
12
|
214.44
|
6
|
|
|
(11R,12R,13S)-2,12-dimethyl-13-propan-2-yl-10-oxa-2-azatetracyclo[5.4.1.18,11.04,12]tridecan-9-one
|
263.37
|
3
|
0
|
3
|
29.54
|
1
|
|
|
(2R,3S)-2-(4-hydroxyphenyl)-8-[(2R,3S,4S)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)chroman-4-yl]chromane-3,5,7-triol
|
954.70
|
0.4
|
13
|
27
|
447.09
|
5
|
|
|
(10R,12S)-12-hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-dien-6-one
|
260.33
|
0.6
|
1
|
3
|
45.47
|
0
|
|
|
(1R,2R,6S,7S,8R,16R,18R)-6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-16-prop-1-en-2-yl-14-[(1E,3E)-trideca-1,3-dienyl]-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-5-one
|
584.70
|
5.7
|
3
|
8
|
117.98
|
12
|
|
|
(1R,3E,11S,13S,14S)-1,11,13-trihydroxy-3,6,6,14-tetramethyl-10-methylidenetricyclo[10.3.0.05,7]pentadec-3-en-2-one
|
334.40
|
2.2
|
3
|
4
|
77.76
|
0
|
|
|
[(3aR,4S,6E,9Z,11S,11aS)-11-hydroxy-6,10-dimethyl-3-methylene-2,8-dioxo-4,5,11,11a-tetrahydro-3aH-cyclodeca[b]furan-4-yl] 2-methylprop-2-enoate
|
346.40
|
1.4
|
1
|
6
|
89.9
|
3
|
|
|
(3aS,7R,9S,10E,11aR)-7,9-dihydroxy-10-methyl-3,6-dimethylene-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-2-one
|
264.32
|
-0.1
|
2
|
4
|
66.76
|
0
|
|
|
(4Z,6R,7S)-4-ethylidene-7-hydroxy-7-(hydroxymethyl)-6-methyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
|
351.40
|
0.6
|
2
|
7
|
96.3
|
1
|
|
|
beta-Codeine
|
299.40
|
1.6
|
1
|
4
|
41.93
|
1
|
|
|
SureCN26387
|
271.31
|
0.3
|
3
|
4
|
61.72
|
0
|
|
|
SureCN14007024
|
562.60
|
6
|
5
|
8
|
132.75
|
2
|
|
|
(2S,3R,4S,6aR,6bR,8aS,12aS,14bR)-8a-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-5-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]oxy-4-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
|
1457.60
|
-0.7
|
16
|
32
|
494.88
|
21
|
|
|
[(2S,4aR,6R,7R,8S,8aR)-2-(3,4-dihydroxyphenyl)-6-(hydroxymethyl)-8-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3,4a,6,7,8,8a-hexahydro-2H-pyrano[2,3-b][1,4]dioxin-7-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
|
622.60
|
-0.6
|
8
|
15
|
234.29
|
8
|
|
|
1'-[1-Hexadecanoyl-2-octadecanoyl-sn-glycero-3-phospho],3'-[1,2-dihexadecanoyl-sn-glycero-3-phospho]-sn-glycerol
|
1381.90
|
27.2
|
3
|
17
|
256.57
|
80
|
|
|
1'-[1-hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho],3'-[1,2-dihexadecanoyl-sn-glycero-3-phospho]-sn-glycerol
|
1379.90
|
26.3
|
3
|
17
|
256.57
|
79
|
|
|
1'-[1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho],3'-[1,2-dihexadecanoyl-sn-glycero-3-phospho]-sn-glycerol
|
1377.90
|
25.6
|
3
|
17
|
256.57
|
78
|
|
|
1'-[1-Hexadecanoyl-2-eicosanoyl-sn-glycero-3-phospho],3'-[1,2-dihexadecanoyl-sn-glycero-3-phospho]-sn-glycerol
|
1409.90
|
28.3
|
3
|
17
|
256.57
|
82
|
|
|
[(2R)-3-[[(2S)-3-[[(2R)-2,3-di(hexadecanoyloxy)propoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-octadecanoyloxypropyl] octadecanoate
|
1409.90
|
28.3
|
3
|
17
|
256.57
|
82
|
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