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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
4,5-Dihydroxy-2,11-dioxatricyclo[13.2.2.13,7]icosa-1(17),3(20),4,6,15,18-hexaen-10-one
|
314.30
|
3.2
|
2
|
5
|
75.99
|
0
|
|
|
(1R,5R,6R,7R,9S,11S,12S,13S,14R)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.17,11.01,6]tetradec-3-ene-5,9,12,13,14-pentol
|
319.27
|
-5.9
|
8
|
9
|
190.25
|
1
|
|
|
[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6S)-5-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] (3S,4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-3-[(6S)-6-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-5-[(2E,6S)-6-hydroxy-2,6-dimethylocta-2,7-dienoyl]oxy-6-methyloxan-2-yl]oxy-2,6-dimethyloct-7-enoyl]oxy-10-[(2R,3R,4S,5S,6R)-6-[[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
2160.30
|
-3.3
|
26
|
49
|
761.79
|
39
|
|
|
[(1S,2E,8S,10R,11R)-6-(acetyloxymethyl)-11-hydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-8-yl] 2-methylprop-2-enoate
|
406.40
|
1.3
|
1
|
8
|
108.36
|
6
|
|
|
(8aR,12aS,13aS)-3-methoxy-6,8,8a,9,12,12a,13,13a-octahydro-5H-isoquinolino[2,1-b]isoquinolin-2-ol
|
285.40
|
3.2
|
1
|
3
|
32.7
|
1
|
|
|
[(2S,3R,4S,5R,6R)-3,5-dihydroxy-2-[5-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxy-6-(hydroxymethyl)oxan-4-yl] acetate
|
488.40
|
0.8
|
4
|
11
|
165.12
|
7
|
|
|
(1S,2S,4S,5R,10R,11S,14S,15Z,16R,18S)-5,16-dihydroxy-15-[1-[(2R)-5-(hydroxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethylidene]-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-7-en-9-one
|
484.60
|
2
|
3
|
7
|
116.59
|
2
|
|
|
[(3S,3aR,5aS,6R,7R,8aS,9S,9aR)-6-acetyloxy-3,5a,9-trimethyl-2-oxo-3,3a,4,5,6,7,8,8a,9,9a-decahydroazuleno[5,6-b]furan-7-yl] acetate
|
352.40
|
3
|
0
|
6
|
78.9
|
4
|
|
|
[(1S,2S,3R,4R,7S,8R,10S,12R,14S,15S,17R,19S,20R)-15-(furan-3-yl)-3,4,20-trihydroxy-2,7,14,20-tetramethyl-5-oxo-6,11,18-trioxahexacyclo[10.8.0.02,10.03,7.014,19.017,19]icosan-8-yl] acetate
|
518.60
|
0.3
|
3
|
10
|
148.19
|
3
|
|
|
(1S,13S,16S,18S)-18-methoxy-15-methyl-12-[(2S)-2-methylbutyl]-5,7-dioxa-12,15-diazapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraen-14-one
|
398.50
|
3.1
|
0
|
5
|
51.24
|
4
|
|
|
[(1S,3R,5S,7R,9S,10S,12R,14R,15S,17R,18S,19R,20R,22S,23R)-14-formyl-9,10,17,22-tetrahydroxy-7,18-dimethyl-19-(5-oxo-2H-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosan-20-yl] acetate
|
606.70
|
-0.6
|
4
|
12
|
178.28
|
4
|
|
|
1-Ethenyl-7-hydroxy-8-methyl-9,10-dihydrophenanthrene-2-carboxylic acid
|
280.30
|
4.2
|
2
|
3
|
57.53
|
2
|
|
|
(7aS)-7a-hydroxy-2-prop-2-enyl-3-sulfanylidene-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-one
|
212.27
|
0.3
|
1
|
3
|
75.87
|
2
|
|
|
(1S,4R,5R,9R,10R,12S,13S)-13-hydroxy-13-(hydroxymethyl)-5,9-dimethyltetracyclo[10.2.2.01,10.04,9]hexadecan-6-one
|
306.40
|
2.7
|
2
|
3
|
57.53
|
1
|
|
|
(2S)-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(5-methyl-2-propan-2-ylidenehex-4-enyl)-2,3-dihydrochromen-4-one
|
424.50
|
6.1
|
4
|
6
|
107.22
|
5
|
|
|
(1R,3aR,5aR,5bR,7aR,11aR,11bR,13aR,13bS)-1-acetyl-3a,5a,5b,8,8,11a-hexamethyl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-one
|
426.70
|
7.5
|
0
|
2
|
34.14
|
1
|
|
|
2-[(2R,4S)-5,7-dimethoxy-4-methyl-3,4-dihydro-2H-chromen-2-yl]-3,5-dimethoxyphenol
|
360.40
|
3.7
|
1
|
6
|
66.38
|
5
|
|
|
(3E)-3-[2-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]oxolane-2,5-dione
|
316.40
|
4.9
|
0
|
3
|
43.37
|
2
|
|
|
[(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] 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
|
2657.80
|
5.9
|
40
|
74
|
1232.78
|
22
|
|
|
[(E,2S,3S)-2-[(3R,4aR,6aR,12bR)-3-(2-hydroxypropan-2-yl)-6a,12b-dimethyl-8,11-dioxo-1,2,3,4a,5,6-hexahydropyrano[3,2-a]xanthen-9-yl]-4-methylhex-4-en-3-yl] acetate
|
512.60
|
3.9
|
1
|
7
|
99.13
|
6
|
|
|
(1S,2S,4S,5R,10R,11S,14S,15S,18S)-15-[(1R)-1-[(2R,4S,5R)-4,5-dimethyl-6-oxooxan-2-yl]ethyl]-5,15-dihydroxy-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-7-en-9-one
|
472.60
|
3.6
|
2
|
6
|
96.36
|
2
|
|
|
[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6S)-5-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] (3S,4aR,6aR,6aS,6bR,8aR,10S,12aR,14bS)-3-[(6S)-6-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-5-[(2E,6S)-6-hydroxy-2,6-dimethylocta-2,7-dienoyl]oxy-6-methyloxan-2-yl]oxy-2,6-dimethyloct-7-enoyl]oxy-10-[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
1996.20
|
-0.6
|
22
|
43
|
662.41
|
36
|
|
|
[(2S,3R,4S,5S,6R)-2-[2-[(1R,4S,4aR,7S,8aS)-4a-hydroxy-4,7-dimethyl-8-oxo-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-yl]propan-2-yloxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-phenylprop-2-enoate
|
546.60
|
2.7
|
4
|
9
|
142.75
|
8
|
|
|
(2R)-2-[(2R)-2-[(1S,3R,6R,8R,11R,12S,13R,15R,16R)-6,13-dihydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]propyl]-4-methyl-2H-furan-5-one
|
470.70
|
6.7
|
2
|
4
|
66.76
|
3
|
|
|
[(2S,3R,4R,5R,6S)-5-[[(3aR,4S,6S,7S,7aR)-7-hydroxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]-4-hydroxy-2-[[(1R,3S,5S,6S,7R,8R,20R,22R,24R,25S,29S)-7-[(2S,3R,4R,5R,6S)-4-hydroxy-6-methyl-5-[(2S)-2-methylbutanoyl]oxy-3-[(E)-3-phenylprop-2-enoyl]oxyoxan-2-yl]oxy-5,24,27,27-tetramethyl-10-oxo-20-pentyl-2,4,9,21,23,26,28-heptaoxatetracyclo[20.7.0.03,8.025,29]nonacosan-6-yl]oxy]-6-methyloxan-3-yl] dodecanoate
|
1461.80
|
14
|
3
|
25
|
295.11
|
30
|
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