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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
3,8-Dimethyl-5-propan-2-yl-1,2,4a,5,6,7-hexahydronaphthalen-2-ol
|
220.35
|
2.7
|
1
|
1
|
20.23
|
1
|
|
|
CID 162821194
|
378.50
|
4.6
|
0
|
5
|
61.83
|
2
|
|
|
[(2R,3R,4R,5R,6R)-4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-5-hydroxy-2-[[(1S,2S,4S,5S,6S,10S)-2-(hydroxymethyl)-10-[(2S,3S,4R,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]-6-methyloxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
816.80
|
-0.1
|
9
|
19
|
293.35
|
14
|
|
|
[(3S,4R,4aR,5S,6R,8R,8aS)-8-[(2R,3aR,5R,6aS)-5-methoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-2-yl]-3,5-diacetyloxy-6,8-dimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-4a-yl]methyl acetate
|
524.60
|
2.4
|
0
|
10
|
119.12
|
9
|
|
|
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-(7-methoxy-4-oxo-3,5-disulfooxychromen-2-yl)-2-sulfooxyphenoxy]oxane-2-carboxylic acid
|
732.60
|
-1.4
|
7
|
22
|
371.83
|
11
|
|
|
11-[4,5-Dihydroxy-3-[5-hydroxy-6-methyl-3,4-bis[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy-6-methyloxan-2-yl]oxytetradecanoic acid
|
828.90
|
-0.2
|
10
|
19
|
293.21
|
20
|
|
|
(1S,2R,7S,9R,11R,12R,16R)-15-[(1R)-1-[(2S)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxyethyl]-12-hydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadeca-4,14-dien-3-one
|
468.60
|
2.2
|
2
|
6
|
96.36
|
2
|
|
|
[(2R,3R,4R,5S,6S)-2-[(2R,3S,4R,5R,6R)-6-[(2Z,6E,10E,14S)-14-[(2S,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-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoxy]-4,5-dihydroxy-2-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl] (2E,4S,6E,10E,14S)-14-[(2S,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-4-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoate
|
1727.90
|
-0.7
|
22
|
38
|
600.58
|
43
|
|
|
(2S,3R,4S,5S)-2-[(1R)-2-[(2S,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-1-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(1S,2R,5R,7S,10R,11R,14R,15S,16S,17R,20R)-16-hydroxy-2,6,6,10,16-pentamethyl-17-(2-methylprop-1-enyl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-7-yl]oxy]oxolan-2-yl]ethoxy]oxane-3,4,5-triol
|
899.10
|
1.5
|
9
|
17
|
255.91
|
10
|
|
|
(1R)-1-(7-methoxy-6-methyl-9H-carbazol-1-yl)-3,3,5-trimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazole
|
474.60
|
8
|
2
|
2
|
50.04
|
2
|
|
|
methyl 1-hydroxy-2-[(4S)-5-hydroxy-2,2-dimethyl-10-(2-methylbut-3-en-2-yl)-8-oxo-3,4-dihydropyrano[3,2-g]chromen-4-yl]-9H-carbazole-3-carboxylate
|
553.60
|
6.9
|
3
|
7
|
121.99
|
5
|
|
|
[4-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-[3,4-dihydroxy-6-methyl-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl] 10-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-11-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
1385.50
|
-3.3
|
19
|
32
|
512.2
|
18
|
|
|
(2S,3R,4S,4aR,6aR,6bR,8aS,12aS,14aR,14bR)-8a-[(2S,3S,4R,5S,6S)-3-[(2S,3R,4R,5R,6R)-5-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-5-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxy-6-methyl-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxycarbonyl-2-hydroxy-6b-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-3-[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
|
1559.60
|
-2.2
|
18
|
35
|
544.57
|
22
|
|
|
9,15,19-Trihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecane-3,10-dione
|
357.40
|
-1.7
|
3
|
6
|
98.07
|
0
|
|
|
(4S,5E,6S)-4-(carboxymethyl)-5-ethylidene-6-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid
|
390.34
|
-2.3
|
6
|
11
|
183.21
|
6
|
|
|
(1R,2R,20R,34R,35S,38S,42R,50S,55S,61S,62R)-7,8,9,12,13,14,25,26,27,30,31,32,38,46,48,61-hexadecahydroxy-3,18,21,36,43,54,56-heptaoxatetradecacyclo[27.26.3.242,45.135,38.135,51.02,20.05,10.011,16.023,28.033,58.034,52.044,49.050,55.041,62]dohexaconta-5,7,9,11,13,15,23,25,27,29(58),30,32,40,44,46,48,51-heptadecaene-4,17,22,37,39,53,57,59-octone
|
1190.80
|
-0.2
|
16
|
31
|
524.85
|
0
|
|
|
3-[(2S,3S,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
|
918.80
|
-4.2
|
15
|
25
|
407.5
|
11
|
|
|
[(2R,3S,4S,5R,6S)-6-[4,10-dihydroxy-3,9-dimethoxy-6,12-dioxo-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-2-yl]oxybenzo[c][1,5]benzodioxocin-8-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
|
992.70
|
-1
|
14
|
28
|
443.8
|
14
|
|
|
11-Hydroxy-3,4,12-trimethoxy-17-methyl-18-oxa-17-azapentacyclo[8.4.3.18,11.01,10.02,7]octadeca-2(7),3,5,12-tetraen-16-one
|
373.40
|
0.3
|
1
|
6
|
77.46
|
3
|
|
|
[(1S,3S,4S,5S,10R,12S,14R,15S,16R,18R,19S,20R,22S)-3-acetyloxy-5-(furan-3-yl)-15,16-dihydroxy-19-(2-methoxy-2-oxoethyl)-4,18,20-trimethyl-7-oxo-12-propan-2-yl-6,11,13,21-tetraoxaheptacyclo[10.8.1.115,18.01,10.04,9.010,14.016,20]docos-8-en-22-yl] (E)-2-methylbut-2-enoate
|
726.80
|
2
|
2
|
14
|
186.49
|
10
|
|
|
[(1S,3S,4S,5S,10R,12S,14R,15S,16R,18R,19S,20R,22S)-3-acetyloxy-12-[(2S)-butan-2-yl]-5-(furan-3-yl)-15,16-dihydroxy-19-(2-methoxy-2-oxoethyl)-4,18,20-trimethyl-7-oxo-6,11,13,21-tetraoxaheptacyclo[10.8.1.115,18.01,10.04,9.010,14.016,20]docos-8-en-22-yl] (E)-2-methylbut-2-enoate
|
740.80
|
2.3
|
2
|
14
|
186.49
|
11
|
|
|
11-Hydroxy-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadec-2-en-8-one
|
261.36
|
1.6
|
1
|
3
|
40.54
|
0
|
|
|
(7R,8R)-7-hydroxy-8-(4-hydroxyphenyl)-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one
|
406.50
|
4.8
|
2
|
5
|
75.99
|
3
|
|
|
[(1R,2S,4aR,6aS,7R,11aS,11bS)-1-acetyloxy-4a-hydroxy-4,4,7,11b-tetramethyl-9-oxo-1,2,3,5,6,6a,7,11a-octahydronaphtho[2,1-f][1]benzofuran-2-yl] acetate
|
432.50
|
2.6
|
1
|
7
|
99.13
|
4
|
|
|
Proceraoside A
|
2012.20
|
-1.3
|
23
|
44
|
682.64
|
36
|
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