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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(1R,2S,6S,8R,10S,11R,12S,13R,16R,17R,19S,20R)-17-acetyloxy-8-(furan-3-yl)-12-hydroxy-4-methoxy-1,9,11,16-tetramethyl-5,14-dioxapentacyclo[11.6.1.02,11.06,10.016,20]icosan-19-yl] (E)-2-methylbut-2-enoate
|
600.70
|
4.8
|
1
|
9
|
113.66
|
7
|
|
|
methyl 2-[(3R,6E)-6-[[(1S,6R,7R,7aS)-6,7-diacetyloxy-1-(furan-3-yl)-7a-methyl-1,2,6,7-tetrahydroinden-4-yl]methylidene]-2,2,4-trimethyl-7-oxo-3H-oxepin-3-yl]acetate
|
552.60
|
3.1
|
0
|
9
|
118.34
|
9
|
|
|
H-Cys(1)-Ile-Ala-His-Tyr-Gly-Lys-Cys(2)-Asp-Gly-Ile-Ile-Asn-Gln-Cys(3)-Cys(1)-Asp-Pro-Trp-Leu-Cys(2)-Thr-Pro-Pro-Ile-Ile-Gly-Phe-Cys(3)-Leu-OH
|
3291.90
|
-4.9
|
37
|
48
|
1304.38
|
39
|
|
|
H-Cys(1)-Ala-Gln-Lys-Gly-Glu-Tyr-Cys(2)-Ser-Val-Tyr-Leu-Gln-Cys(3)-Cys(1)-Asp-Pro-Tyr-His-Cys(2)-Thr-Gln-Pro-Val-Ile-Gly-Gly-Ile-D-Cys(3)-Ala-OH
|
3247.70
|
-10.4
|
41
|
52
|
1401.16
|
39
|
|
|
3,5-dihydroxy-4-[(1R,2R,5S)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexyl]-6,6-bis(3-methylbut-2-enyl)-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one
|
484.70
|
6.6
|
3
|
5
|
94.83
|
8
|
|
|
3,5-dihydroxy-4-[(1R,2R,5S)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexyl]-2-(2-methylbutanoyl)-6,6-bis(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one
|
498.70
|
6.9
|
3
|
5
|
94.83
|
9
|
|
|
(2R,3R,4R,5R,6S)-2-[[(2S,3R)-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-yl]methoxy]-6-methyloxane-3,4,5-triol
|
536.60
|
1
|
5
|
11
|
156.53
|
10
|
|
|
(2R,3R,4R,5R,6S)-2-[[(2R,3S)-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-yl]methoxy]-6-methyloxane-3,4,5-triol
|
536.60
|
1
|
5
|
11
|
156.53
|
10
|
|
|
(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S)-2-(4-hydroxy-3-methoxyphenyl)-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-yl]methoxy]-6-methyloxane-3,4,5-triol
|
506.50
|
1.3
|
5
|
10
|
147.3
|
8
|
|
|
(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S)-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]oxolan-3-yl]methoxy]-6-methyloxane-3,4,5-triol
|
566.60
|
1.2
|
5
|
12
|
165.76
|
10
|
|
|
(2R,3R,4R,5R,6S)-2-[[(2R,3R,4R)-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]oxolan-3-yl]methoxy]-6-methyloxane-3,4,5-triol
|
566.60
|
1.2
|
5
|
12
|
165.76
|
10
|
|
|
(2R,3R,4R,5R,6S)-2-[(2S,3S)-4-hydroxy-2,3-bis[(4-hydroxy-3,5-dimethoxyphenyl)methyl]butoxy]-6-methyloxane-3,4,5-triol
|
568.60
|
1.4
|
6
|
12
|
176.76
|
13
|
|
|
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(2R,3R,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(E,2S)-6-hydroperoxy-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-4-en-2-yl]-2,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
995.20
|
-0.2
|
14
|
21
|
347.83
|
14
|
|
|
(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6S)-6-[(E,2S)-2-[(2R,3R,5R,8R,9R,10R,12R,13R,14R,17S)-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-2,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroperoxy-6-methylhept-4-en-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol
|
1141.30
|
-1.8
|
16
|
25
|
406.75
|
16
|
|
|
(2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6S)-6-[(E,2S)-6-hydroperoxy-6-methyl-2-[(2R,3R,5R,8R,9R,10R,12R,13R,14R,17S)-2,3,12-trihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-4-en-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
833.00
|
0.9
|
11
|
16
|
268.68
|
11
|
|
|
(6S)-6-[(2R,3R,5R,8R,9R,10R,12R,13R,14R,17S)-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-2,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxyhept-1-en-3-one
|
1123.30
|
-1.5
|
15
|
24
|
394.36
|
16
|
|
|
(6S)-2-methyl-6-[(2R,3R,5R,8R,9R,10R,12R,13R,14R,17S)-2,3,12-trihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyhept-1-en-3-one
|
815.00
|
1.1
|
10
|
15
|
256.29
|
11
|
|
|
[(10R,11S,12R,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] 3,4,5-trihydroxy-2-[[(11R,12S,13R,14R,16S)-4,5,13,21,22-pentahydroxy-14-(hydroxymethyl)-9,18-dioxo-12-(3,4,5-trihydroxybenzoyl)oxy-2,10,15,17-tetraoxatetracyclo[17.3.1.03,8.011,16]tricosa-1(23),3,5,7,19,21-hexaen-6-yl]oxy]benzoate
|
1419.00
|
2.1
|
22
|
40
|
666.08
|
12
|
|
|
[(3R,4S,5R,6R)-2,5-dihydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxybenzoyl)oxyoxan-3-yl] 2-[[(11R,12S,13R,31R,33S)-4,5,18,19,20,23,24,25,38,39-decahydroxy-9,15,28,35-tetraoxo-12-(3,4,5-trihydroxybenzoyl)oxy-2,10,14,29,32,34-hexaoxaheptacyclo[34.3.1.03,8.011,33.013,31.016,21.022,27]tetraconta-1(40),3,5,7,16,18,20,22,24,26,36,38-dodecaen-6-yl]oxy]-3,4,5-trihydroxybenzoate
|
1419.00
|
2.1
|
22
|
40
|
666.08
|
12
|
|
|
[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-2,4-bis[(3,4,5-trihydroxybenzoyl)oxy]oxan-3-yl] 2-[5-[[(10R,11S,12R,13S,15R)-12-[2-[[(11R,12S,13R,31R,33S)-4,5,18,19,20,23,24,25,38,39-decahydroxy-9,15,28,35-tetraoxo-12-(3,4,5-trihydroxybenzoyl)oxy-2,10,14,29,32,34-hexaoxaheptacyclo[34.3.1.03,8.011,33.013,31.016,21.022,27]tetraconta-1(40),3,5,7,16,18,20,22,24,26,36,38-dodecaen-6-yl]oxy]-3,4,5-trihydroxybenzoyl]oxy-3,4,5,21,22,23-hexahydroxy-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-13-yl]oxycarbonyl]-2,3-dihydroxyphenoxy]-3,4,5-trihydroxybenzoate
|
2507.70
|
5.6
|
38
|
70
|
1166.02
|
26
|
|
|
[(10R,11R,12R,13S,15R)-13-(3,4-dihydroxy-5-methoxybenzoyl)oxy-3,4,5,12,21,22,23-heptahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-11-yl] 3,4,5-trihydroxybenzoate
|
800.60
|
1.6
|
12
|
22
|
366.42
|
7
|
|
|
[(10R,11S,12R,13R,15R)-3,4,5,13,21,22,23-heptamethoxy-8,18-dioxo-11-(3,4,5-trimethoxybenzoyl)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,12S,13R,31R,33S)-4,5,18,19,20,23,24,25,38,39-decamethoxy-9,15,28,35-tetraoxo-12-(3,4,5-trimethoxybenzoyl)oxy-2,10,14,29,32,34-hexaoxaheptacyclo[34.3.1.03,8.011,33.013,31.016,21.022,27]tetraconta-1(39),3,5,7,16,18,20,22,24,26,36(40),37-dodecaen-6-yl]oxy]-3,4,5-trimethoxybenzoate
|
2085.90
|
12.3
|
0
|
48
|
513.6
|
37
|
|
|
[(10R,11S,12R,13S,15R)-3,4,5,13,21,22,23-heptamethoxy-8,18-dioxo-11-(3,4,5-trimethoxybenzoyl)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,12S,13R,31R,33S)-4,5,18,19,20,23,24,25,38,39-decamethoxy-9,15,28,35-tetraoxo-12-(3,4,5-trimethoxybenzoyl)oxy-2,10,14,29,32,34-hexaoxaheptacyclo[34.3.1.03,8.011,33.013,31.016,21.022,27]tetraconta-1(39),3,5,7,16,18,20,22,24,26,36(40),37-dodecaen-6-yl]oxy]-3,4,5-trimethoxybenzoate
|
2085.90
|
12.3
|
0
|
48
|
513.6
|
37
|
|
|
(2R,4S,4aR,4bS,7R,10aS)-7-ethenyl-1,1,4a,7-tetramethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-2,4-diol
|
304.50
|
4.5
|
2
|
2
|
40.46
|
1
|
|
|
(2S)-5-(diaminomethylideneamino)-2-(dithiolane-4-carbonylamino)pentanoic acid
|
306.40
|
-1.2
|
4
|
6
|
181.4
|
7
|
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