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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
2-(2'-Hydroxytetracosanoylamino)-octadecane-1,3,4-triol, (2S,3S,4R,2'R)-
|
684.10
|
15.8
|
5
|
5
|
110.02
|
39
|
|
|
[(2S,3R,4R,5R,6S)-4-hydroxy-5-(4-hydroxybenzoyl)oxy-6-[[(1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl]oxy]-2-methyloxan-3-yl] 4-hydroxybenzoate
|
748.70
|
-0.6
|
8
|
18
|
273.12
|
12
|
|
|
[(1S,2R,6R,7R,9R,14R,16R,17R)-6-hydroxy-14-[(2S,3R)-3-(hydroxymethyl)-5-oxooxolan-2-yl]-2,6,14,17-tetramethyl-3,11-dioxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-4,12-dien-16-yl] acetate
|
502.60
|
1
|
2
|
9
|
136.43
|
4
|
|
|
[(3aR,4R,6R,6aR,9aR,9bR)-6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] 2-methylpropanoate
|
334.40
|
2.4
|
1
|
5
|
72.83
|
3
|
|
|
methyl (1R,10S,12R,13E,18R)-13-ethylidene-10-hydroxy-8-methyl-8,15-diazapentacyclo[10.5.1.01,9.02,7.09,15]octadeca-2,4,6-triene-18-carboxylate
|
354.40
|
1.7
|
1
|
5
|
53.01
|
2
|
|
|
2-[(Z)-3-[2-[(E)-3-[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-1-(3,4-dihydroxyphenyl)-3-oxoprop-1-en-2-yl]-3,4-dihydroxyphenyl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid
|
718.60
|
4.4
|
10
|
16
|
289.04
|
15
|
|
|
(1S,3R,6S,8S,11S,12S,15R,16R)-7,12,16-trimethyl-15-[(2R)-6-methylhept-5-en-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
|
412.70
|
9.4
|
1
|
1
|
20.23
|
4
|
|
|
(1S,8S,9R,16S)-9-[5-[(Z)-2-[(2S,3S)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]ethenyl]-2-hydroxyphenyl]-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaene-4,6,12-triol
|
906.90
|
9.8
|
10
|
12
|
220.76
|
7
|
|
|
methyl (1S,15R,17R,18S)-17-ethyl-16-oxo-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate
|
352.40
|
2.4
|
1
|
4
|
62.4
|
3
|
|
|
(E,5R)-5-hydroxy-1-(4-hydroxyphenyl)-7-phenylhept-6-en-3-one
|
296.40
|
2.9
|
2
|
3
|
57.53
|
7
|
|
|
(E)-4-[(1R,2S,4aS,8aS)-5,5,8a-trimethylspiro[3,4,4a,6,7,8-hexahydro-1H-naphthalene-2,2'-oxirane]-1-yl]-2-[(E)-2-[2,6-dihydroxy-4-methoxy-3-[(E)-3-phenylprop-2-enoyl]phenyl]ethenyl]but-2-enal
|
570.70
|
8.1
|
2
|
6
|
96.36
|
9
|
|
|
[(1R,4S,5R,6S)-4-acetyloxy-5-(acetyloxymethyl)-6-benzoyloxy-5-hydroxycyclohex-2-en-1-yl] benzoate
|
468.50
|
2.7
|
1
|
9
|
125.43
|
11
|
|
|
[(1S,4R,5R,6S)-5,6-diacetyloxy-4-benzoyloxy-1-hydroxycyclohex-2-en-1-yl]methyl benzoate
|
468.50
|
2.7
|
1
|
9
|
125.43
|
11
|
|
|
[(1R,2R,3R,4R,6S,8S,9S,10S,11S,13S)-3-acetyloxy-2,8,11-trihydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-6-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
|
450.50
|
1.1
|
3
|
8
|
130.36
|
4
|
|
|
[(1R,2R,3R,4R,6S,8S,9S,10S,11S,13S)-2,3-diacetyloxy-8,11-dihydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-6-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
|
492.60
|
1.6
|
2
|
9
|
136.43
|
6
|
|
|
[(1S,2R,3R,4R,6S,8S,9S,10S,11S,13S,15R)-3-acetyloxy-2,8,11,15-tetrahydroxy-5,5,9-trimethyl-14-methylidene-6-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
|
452.50
|
0.6
|
4
|
8
|
133.52
|
4
|
|
|
[(1R,2R,3R,4R,6S,8S,9S,10S,11S,13S,14S)-3-acetyloxy-14-(ethoxymethyl)-2,8,11-trihydroxy-5,5,9-trimethyl-15-oxo-6-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
|
496.60
|
0.9
|
3
|
9
|
139.59
|
7
|
|
|
(5I+/-)-14-Methyl-9,19-cycloergost-25-en-3-one
|
410.70
|
9.2
|
0
|
1
|
17.07
|
5
|
|
|
[(3R,4R)-8-hydroxy-3-(4-hydroxy-3,5-dimethoxyphenyl)-11-methoxy-3,4,5,6-tetrahydro-2H-naphtho[2,1-f]chromen-4-yl] acetate
|
492.50
|
4.3
|
2
|
8
|
103.68
|
6
|
|
|
[3-hydroxy-10-(4-hydroxy-3-methoxyphenyl)-1-methoxy-6,9,10,11-tetrahydro-5H-naphtho[1,2-g]chromen-11-yl] acetate
|
462.50
|
4.3
|
2
|
7
|
94.45
|
5
|
|
|
(1S,14S,30R)-9,20,21,25-tetramethoxy-15,30-dimethyl-30-oxido-7,23-dioxa-15-aza-30-azoniaheptacyclo[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-dodecaene
|
638.70
|
6.1
|
0
|
8
|
81.68
|
4
|
|
|
(1S,14R)-9,20,21,25-tetramethoxy-15,15,30-trimethyl-7,23-dioxa-30-aza-15-azoniaheptacyclo[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-dodecaene
|
637.80
|
6.4
|
0
|
7
|
58.62
|
4
|
|
|
(1S,14S,15S)-9,20,21,25-tetramethoxy-15,30-dimethyl-15-oxido-7,23-dioxa-30-aza-15-azoniaheptacyclo[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-dodecaene
|
638.70
|
6.1
|
0
|
8
|
81.68
|
4
|
|
|
(1S,14S,30S)-9,20,25-trimethoxy-15,30-dimethyl-30-oxido-7,23-dioxa-15-aza-30-azoniaheptacyclo[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-21-ol
|
624.70
|
5.8
|
1
|
8
|
92.68
|
3
|
|
|
(1S,14S,30R)-9,20,25-trimethoxy-15,30-dimethyl-30-oxido-7,23-dioxa-15-aza-30-azoniaheptacyclo[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-21-ol
|
624.70
|
5.8
|
1
|
8
|
92.68
|
3
|
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