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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(2R,3S,4S,5R,6R)-6-[(2S,3S,4R,5R)-3-benzoyloxy-4-hydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl] benzoate
|
712.60
|
-1.9
|
9
|
18
|
280.82
|
14
|
|
|
4-[[5,7-Dihydroxy-2-methyl-2-(3-methylbut-2-enyl)-8-(2-methylpropanoyl)chromen-6-yl]methyl]-3,5-dihydroxy-6,6-dimethyl-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one
|
552.70
|
6.7
|
4
|
8
|
141.36
|
8
|
|
|
(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-hydroxy-2-[[(1S,2R,5R,7S,10R,11R,14R,15S,16S,20S)-2,6,6,10,16-pentamethyl-18-(2-methylprop-1-enyl)-16-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-7-yl]oxy]oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
1031.20
|
0.6
|
11
|
21
|
314.83
|
11
|
|
|
(5z,9z)-14-Methyl-5,9-pentadeca-dienoic acid
|
252.39
|
5
|
1
|
2
|
37.3
|
11
|
|
|
(1R,3aS,4S,8aR)-4-methoxy-1,4-dimethyl-7-propan-2-yl-2,3,3a,5,6,8a-hexahydroazulen-1-ol
|
252.39
|
2.6
|
1
|
2
|
29.46
|
2
|
|
|
(1Z,2S,3S)-3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-1-[(4-hydroxyphenyl)methylidene]-2,3-dihydroindene-4,6-diol
|
454.50
|
4.9
|
6
|
6
|
121.38
|
3
|
|
|
2,5,7,8-tetramethyl-2-[(3Z,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol
|
424.70
|
9.3
|
1
|
2
|
29.46
|
9
|
|
|
methyl (4S,5E,6S)-5-ethylidene-4-[2-[[(5R,6R,7S,9S,10R,15S,16E,17S)-16-ethylidene-5,9-dimethyl-2,13-dioxo-17-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,12,18-trioxatricyclo[13.4.0.06,10]nonadec-1(19)-en-7-yl]oxy]-2-oxoethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
|
928.90
|
-1.5
|
8
|
22
|
322.42
|
12
|
|
|
(1S,3S,4S,6S,7S,8R,11S,12S,14S,15R,16R)-4,6,14-trihydroxy-15-[(2R)-5-hydroxy-5-(hydroxymethyl)-6-methylheptan-2-yl]-7,12,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylic acid
|
536.70
|
4.6
|
6
|
7
|
138.45
|
7
|
|
|
9,19-Cyclolanostan-28-oic acid, 1,3,16,24-tetrahydroxy-24-(hydroxymethyl)-, (1I+/-,3I(2),4I+/-,16I+/-)-
|
536.70
|
4.6
|
6
|
7
|
138.45
|
7
|
|
|
[(1S,2R,3R,4R,5S,6S,8R,9R,10R,13R,14R,16S,17S,18R)-8-acetyloxy-11-formyl-5,14-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 3,4-dimethoxybenzoate
|
689.70
|
0.3
|
2
|
13
|
168.75
|
12
|
|
|
[(1S,2R,3R,4R,5S,6S,8R,9R,10R,13R,14R,16S,17S,18R)-8-ethoxy-11-ethyl-5,14-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 3,4-dimethoxybenzoate
|
675.80
|
1.5
|
2
|
12
|
134.61
|
13
|
|
|
3-[[(2S,3R,4S,5R,6R)-6-[5,7-dihydroxy-2-[4-hydroxy-3-[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[[(Z)-3-[4-[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoyl]oxymethyl]oxan-2-yl]oxy-5-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[[(Z)-3-[4-[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[[(Z)-3-[4-[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoyl]oxymethyl]oxan-2-yl]oxyphenyl]prop-2-enoyl]oxymethyl]oxan-2-yl]oxyphenyl]chromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid
|
1800.60
|
|
24
|
45
|
729.85
|
35
|
|
|
3-[[(2S,3R,4S,5R,6R)-6-[5,7-dihydroxy-2-[4-hydroxy-3-[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[[(Z)-3-[4-[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[[1-hydroxy-3-(4-oxocyclohexa-2,5-dien-1-ylidene)prop-1-enoxy]methyl]oxan-2-yl]oxyphenyl]prop-2-enoyl]oxymethyl]oxan-2-yl]oxy-5-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[[(Z)-3-[4-[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[[(Z)-3-[4-[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoyl]oxymethyl]oxan-2-yl]oxyphenyl]prop-2-enoyl]oxymethyl]oxan-2-yl]oxyphenyl]chromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid
|
1946.70
|
|
24
|
47
|
756.15
|
38
|
|
|
[1-[[(2R,3S,4S,5R,6S)-6-[4-[(E)-3-[[(2R,3S,4S,5R,6S)-6-[5-[3-[(2S,3R,4S,5S,6R)-6-[(2-carboxyacetyl)oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-7-hydroxy-5-oxochromen-2-yl]-2-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[1-hydroxy-3-(4-oxocyclohexa-2,5-dien-1-ylidene)prop-1-enoxy]methyl]oxan-2-yl]oxyphenyl]prop-2-enoyl]oxymethyl]oxan-2-yl]oxyphenoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxoprop-1-enyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-(4-hydroxyphenyl)prop-2-enylidene]oxidanium
|
1784.60
|
-2.1
|
21
|
42
|
680.01
|
35
|
|
|
6''-O-alpha-D-Galactopyranosylciceritol
|
680.60
|
-9.1
|
14
|
21
|
347.83
|
10
|
|
|
(1S,4S,7S,8S,11R,12R,13S)-2,12-dimethyl-13-propan-2-yl-10-oxa-2-azatetracyclo[5.4.1.18,11.04,12]tridecane-3,9-dione
|
277.36
|
2.2
|
0
|
3
|
46.61
|
1
|
|
|
methyl (4S,7S,8R,9S,10R,11R)-10-hydroxy-2,11-dimethyl-9-propan-2-yl-2-azatricyclo[5.3.1.04,11]undecane-8-carboxylate
|
295.40
|
2.5
|
1
|
4
|
49.77
|
3
|
|
|
(4aR,9aR,10R)-10-hydroxy-2-methyl-4,4a,9a,10-tetrahydro-1H-anthracen-9-one
|
228.29
|
1.9
|
1
|
2
|
37.3
|
0
|
|
|
(4aR,9aS,10R)-10-hydroxy-2-methyl-4,4a,9a,10-tetrahydro-1H-anthracen-9-one
|
228.29
|
1.9
|
1
|
2
|
37.3
|
0
|
|
|
(4aS,9aR,10S)-10-hydroxy-2-methyl-4,4a,9a,10-tetrahydro-1H-anthracen-9-one
|
228.29
|
1.9
|
1
|
2
|
37.3
|
0
|
|
|
(2R,3R,4S,6S)-3-[(E,3S,5S)-5-hydroxy-1,7-bis(4-hydroxyphenyl)hept-1-en-3-yl]-2-(4-hydroxyphenyl)-6-[2-(4-hydroxyphenyl)ethyl]oxan-4-ol
|
610.70
|
6.8
|
6
|
7
|
130.61
|
12
|
|
|
2-methylpropyl (2E,4E,12E)-13-(1,3-benzodioxol-5-yl)trideca-2,4,12-trienoate
|
384.50
|
7.4
|
0
|
4
|
44.76
|
13
|
|
|
(E)-4-(7-hydroxy-2-oxochromen-6-yl)-2-methylbut-2-enoic acid
|
260.24
|
2.2
|
2
|
5
|
87.74
|
3
|
|
|
(1R,5R,7R,8R,12S)-7,12-dihydroxy-1,5-dimethyl-8-propan-2-yl-9,10-dioxatricyclo[6.2.2.02,6]dodec-2(6)-en-3-one
|
282.33
|
0
|
2
|
5
|
75.99
|
1
|
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