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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(3aR,4S,9R,9aS,9bR)-9-(hydroxymethyl)-6-methyl-3-methylidene-2,7-dioxo-4,5,8,9,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] 2-(4-hydroxyphenyl)acetate
|
412.40
|
1.4
|
2
|
7
|
110.13
|
5
|
|
|
2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
|
788.70
|
-3.6
|
14
|
22
|
368.81
|
10
|
|
|
3-[(3S,5R,8R,9S,10S,11R,13R,14S,17R)-3-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-11,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
|
566.70
|
0.4
|
5
|
10
|
155.14
|
5
|
|
|
[(2R,3R,4R,5R,6R)-4,5-diacetyloxy-6-[(2R,3R,4S,5R)-2-[(1S,2S,3'R,4R,4'R,6R,7S,8S,9R,12R,13R,16R)-4'-[[(2S,5R,6S,7R,8S,10R)-6,7-dihydroxy-2-[(2S)-2-hydroxybutan-2-yl]-10-methyl-3-oxo-1,4,9-trioxaspiro[4.5]decan-8-yl]oxy]-3',16-dihydroxy-7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-2-methyloxan-3-yl] acetate
|
1139.20
|
1.2
|
7
|
24
|
329.88
|
14
|
|
|
[(2R,3R,4R,5R,6R)-4,5-diacetyloxy-6-[(2R,3R,4S,5R)-2-[(1S,2S,3'R,4R,4'R,6R,7S,8S,9R,12R,13R,16R)-4'-[[(2S,5S,6S,7R,8S,10R)-6,7-dihydroxy-2-[(2S)-2-hydroxybutan-2-yl]-10-methyl-3-oxo-1,4,9-trioxaspiro[4.5]decan-8-yl]oxy]-3',16-dihydroxy-7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-2-methyloxan-3-yl] acetate
|
1139.20
|
1.2
|
7
|
24
|
329.88
|
14
|
|
|
3-[(1S,4aR,5S,6S,8aR)-5-[(5-acetyloxy-2-hydroxy-3-methylphenyl)methyl]-5,6,8a-trimethyl-2-propan-2-ylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]propanoic acid
|
470.60
|
7
|
2
|
5
|
83.83
|
7
|
|
|
(2S,3R,4S,5R)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-2-[[(1S,2R,4S,5R,8R,10S,13S,14R,17S,18R)-2-hydroxy-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-6-methyloxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
|
897.10
|
2.2
|
9
|
16
|
246.68
|
7
|
|
|
(4R,5S)-4-hydroxy-2-methyl-5-(6-methylhepta-1,5-dien-2-yl)cyclohex-2-en-1-one
|
234.33
|
3.2
|
1
|
2
|
37.3
|
4
|
|
|
[(1S,2R,3R,4S,5R,6S,8R,9R,10R,13R,14R,16S,17S,18R)-4-acetyloxy-11-ethyl-14-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-8-yl] (E)-3-phenylprop-2-enoate
|
639.80
|
2.7
|
1
|
10
|
112.99
|
12
|
|
|
[(1S,2R,3R,4S,5R,6S,8R,9R,10R,13S,16S,17R,18R)-4-acetyloxy-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-8-yl] (E)-3-phenylprop-2-enoate
|
623.80
|
3.7
|
0
|
9
|
92.76
|
12
|
|
|
[(1S,2R,3R,4S,5R,6S,8R,9R,10R,13S,16S,17R,18R)-11-ethyl-8,18-dihydroxy-6,16-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] (E)-3-phenylprop-2-enoate
|
567.70
|
2.6
|
2
|
8
|
97.69
|
9
|
|
|
(1S,2R,4S,5R,10S,14S,17R)-5-[(2R)-2-hydroxy-1-methylsulfinylpropan-2-yl]-10,14-dimethyl-3,6,16-trioxapentacyclo[8.6.1.02,4.04,9.014,17]heptadeca-8,12-diene-7,15-dione
|
408.50
|
-0.4
|
1
|
8
|
121.64
|
3
|
|
|
(1S,2S,5R,6R,8S,11S,14R,17S,20R)-6,14-dimethyl-10,16,18-trioxahexacyclo[12.5.1.15,8.01,11.02,8.017,20]henicosan-9-one
|
332.40
|
3.3
|
0
|
4
|
44.76
|
0
|
|
|
(1S,2S,5R,6S,8S,11S,14R,17S,20R)-6,14-dimethyl-10,16,18-trioxahexacyclo[12.5.1.15,8.01,11.02,8.017,20]henicosan-9-one
|
332.40
|
3.3
|
0
|
4
|
44.76
|
0
|
|
|
(1S,2S,3R,5S,6R,8S,11S,14R,17S,20R)-3-hydroxy-6,14-dimethyl-10,16,18-trioxahexacyclo[12.5.1.15,8.01,11.02,8.017,20]henicosan-9-one
|
348.40
|
2
|
1
|
5
|
64.99
|
0
|
|
|
7-hydroxy-8-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
|
340.28
|
-0.6
|
5
|
9
|
149.82
|
3
|
|
|
(2S)-2-[[(10S,16R,18S,21S,24S,27S,28S)-16-[3-(diaminomethylideneamino)propyl]-24-(2-methylpropyl)-12,15,17,20,23,26-hexaoxo-27-[[2-oxo-2-[(2S)-5-oxopyrrolidin-2-yl]acetyl]amino]-21,28-di(propan-2-yl)-3,5,7,11,14,19,22,25-octazapentacyclo[16.13.2.12,29.15,8.04,32]pentatriaconta-1,4(32),6,8(35),29(34),30-hexaene-10-carbonyl]amino]butanedioic acid
|
1115.20
|
-0.2
|
13
|
16
|
439.55
|
16
|
|
|
5-(diaminomethylideneamino)-2-[[(10S,16S,21S,24S,27S,28R)-16-[3-(diaminomethylideneamino)propyl]-24-(2-methylpropyl)-12,15,17,20,23,26-hexaoxo-27-[[2-oxo-2-[(2S)-5-oxopyrrolidin-2-yl]acetyl]amino]-21,28-di(propan-2-yl)-3,5,7,11,14,19,22,25-octazapentacyclo[16.13.2.12,29.15,8.04,32]pentatriaconta-1,4(32),6,8(35),29(34),30-hexaene-10-carbonyl]amino]pentanoic acid
|
1156.30
|
-0.5
|
14
|
15
|
466.65
|
18
|
|
|
(10S,16S,21S,24S,27S,28R)-21-butan-2-yl-16-[3-(diaminomethylideneamino)propyl]-24-(2-methylpropyl)-12,15,17,20,23,26-hexaoxo-27-[[2-oxo-2-[(2S)-5-oxopyrrolidin-2-yl]acetyl]amino]-28-propan-2-yl-3,5,7,11,14,19,22,25-octazapentacyclo[16.13.2.12,29.15,8.04,32]pentatriaconta-1,4(32),6,8(35),29(34),30-hexaene-10-carboxylic acid
|
1014.10
|
1.3
|
11
|
13
|
373.15
|
13
|
|
|
2-[[(10S,16S,21S,24S,27S,28R)-21-butan-2-yl-16-[3-(diaminomethylideneamino)propyl]-24-(2-methylpropyl)-12,15,17,20,23,26-hexaoxo-27-[[2-oxo-2-[(2S)-5-oxopyrrolidin-2-yl]acetyl]amino]-28-propan-2-yl-3,5,7,11,14,19,22,25-octazapentacyclo[16.13.2.12,29.15,8.04,32]pentatriaconta-1,4(32),6,8(35),29(34),30-hexaene-10-carbonyl]amino]butanedioic acid
|
1129.20
|
0.2
|
13
|
16
|
439.55
|
17
|
|
|
2-[[(10S,16S,21S,24S,27S,28R)-21-butan-2-yl-16-[3-(diaminomethylideneamino)propyl]-24-(2-methylpropyl)-12,15,17,20,23,26-hexaoxo-27-[[2-oxo-2-[(2S)-5-oxopyrrolidin-2-yl]acetyl]amino]-28-propan-2-yl-3,5,7,11,14,19,22,25-octazapentacyclo[16.13.2.12,29.15,8.04,32]pentatriaconta-1,4(32),6,8(35),29(34),30-hexaene-10-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid
|
1170.30
|
-0.2
|
14
|
15
|
466.65
|
19
|
|
|
(2S,3S,9S,17S)-3-[(2S,3S)-3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-2,9,17-tris(4-hydroxyphenyl)-8-oxapentacyclo[8.7.2.04,18.07,19.011,16]nonadeca-4(18),5,7(19),11(16),12,14-hexaene-5,13,15-triol
|
890.90
|
9.5
|
9
|
11
|
200.53
|
6
|
|
|
(2S,3S,9S,17R)-3-[(2S,3S)-3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-2,9,17-tris(4-hydroxyphenyl)-8-oxapentacyclo[8.7.2.04,18.07,19.011,16]nonadeca-4(18),5,7(19),11(16),12,14-hexaene-5,13,15-triol
|
890.90
|
9.5
|
9
|
11
|
200.53
|
6
|
|
|
(3S,4S)-2-(3,4-dihydroxyphenyl)-4-[(3S,4R)-2-(3,4-dihydroxyphenyl)-4-[(3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-8-[(3S,4S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
|
1155.00
|
4.3
|
20
|
24
|
441.52
|
7
|
|
|
(2R)-2-[(3,4-dihydroxyphenyl)methyl]-2-hydroxybutanedioic acid
|
256.21
|
-0.3
|
5
|
7
|
135.29
|
5
|
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