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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1'S,2'Z,3S,7'R,8'R)-2'-butylidene-8'-propylspiro[2-benzofuran-3,9'-3-oxatricyclo[5.2.2.01,5]undec-5-ene]-1,4'-dione
|
378.50
|
5.3
|
0
|
4
|
52.6
|
4
|
|
|
CID 101582565
|
386.40
|
1.1
|
1
|
6
|
89.9
|
2
|
|
|
5-Hydroxy-8,8-dimethyl-3,6-bis(3-methylbut-2-enyl)-2-(2,4,5-trihydroxyphenyl)pyrano[2,3-h]chromen-4-one
|
504.60
|
7.1
|
4
|
7
|
120.36
|
5
|
|
|
5-[(E)-2-[4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]ethenyl]benzene-1,3-diol
|
364.50
|
7
|
3
|
3
|
60.69
|
6
|
|
|
5-[(E)-2-[4-hydroxy-2-methoxy-3,5-bis(3-methylbut-2-enyl)phenyl]ethenyl]benzene-1,3-diol
|
394.50
|
7
|
3
|
4
|
69.92
|
7
|
|
|
5,7-Dihydroxy-3,6,8-tris(3-methylbut-2-enyl)-2-(2,4,5-trihydroxyphenyl)chromen-4-one
|
506.60
|
7.7
|
5
|
7
|
131.36
|
7
|
|
|
(1S,2S,4S,6S,7S,8R,9S,12S,13R,15R,16R,18R)-16-[(2R,3R,4R,5R,6R)-5-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,15,18-triol
|
1439.50
|
-7
|
23
|
36
|
585.28
|
22
|
|
|
(1S,2S,4S,6S,7S,8R,9S,12S,13R,15R,16R,18R)-16-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,15,18-triol
|
1277.40
|
-5.4
|
20
|
31
|
506.13
|
19
|
|
|
(1R,2S,4S,6S,7S,8R,9S,12S,13R,15R,16R,18S,19R)-16-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,15,19-triol
|
1277.40
|
-5.3
|
20
|
31
|
506.13
|
19
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,11R,12aS,14aR,14bR)-11-carboxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-9-oxo-2,3,4a,5,6,7,8,10,12,12a,14,14a-dodecahydro-1H-picen-3-yl]oxy]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
|
971.10
|
0.6
|
11
|
20
|
329.12
|
10
|
|
|
[(3S,4aR,6aR,6bS,8aS,11S,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,14,14a-dodecahydro-1H-picen-3-yl] acetate
|
482.70
|
7.1
|
1
|
3
|
46.53
|
3
|
|
|
(2S,4aS,6aR,6aS,6bR,8aR,12aR)-1,2,6a,6b,9,9,12a-heptamethyl-10-oxo-2,3,4,5,6,6a,7,8,8a,11,12,13-dodecahydropicene-4a-carboxylic acid
|
452.70
|
6.2
|
1
|
3
|
54.37
|
1
|
|
|
(4S,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-2,4a,5,6,7,8,9,10,12,12a,14,14a-dodecahydro-1H-picen-3-one
|
440.70
|
8.2
|
1
|
2
|
37.3
|
1
|
|
|
(3I(2),20I(2))-3-Hydroxy-16-oxooleana-11,13(18)-dien-29-oic acid
|
468.70
|
5.3
|
2
|
4
|
74.6
|
1
|
|
|
2-[[(1S,9Z,19R,21S,22R,23R)-4,5,6,14,15,22,23-heptahydroxy-3,16-dioxo-21-(3,4,5-trihydroxybenzoyl)oxy-2,17,20-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-5,7,9,11,13-pentaen-13-yl]oxy]-3,4,5-trihydroxybenzoic acid
|
804.60
|
-2.3
|
14
|
23
|
397.65
|
6
|
|
|
(1R,2S,5R,8S,9R,14S,16R,17S,18R,21R,24R,26S,27R)-5,14,16-trihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.118,27.01,5.02,24.08,17.09,14.021,26]nonacos-11-ene-4,10,22,29-tetrone
|
544.50
|
-0.8
|
3
|
11
|
165.89
|
0
|
|
|
(1R,2S,5S,8S,9S,14R,15R,17R,18R,21S,24R,26S,27R)-14-chloro-5,15-dihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.118,27.01,5.02,24.08,17.09,14.021,26]nonacos-11-ene-4,10,22,29-tetrone
|
563.00
|
0.4
|
2
|
10
|
145.66
|
0
|
|
|
(1R,2R,10S,12S,14R,16R,18S)-16-(furan-3-yl)-18-methyl-8,13,15-trioxapentacyclo[10.5.1.01,14.02,10.06,10]octadeca-3,5-dien-7-one
|
340.40
|
2.6
|
0
|
5
|
57.9
|
1
|
|
|
[(1R,3S,4S,5R,6R,8R,9R,11R,13R,14R,15S)-9,11-diacetyloxy-13-hydroxy-3,8,12,12,15-pentamethyl-16-oxo-7,17-dioxatetracyclo[12.2.1.01,5.06,8]heptadecan-4-yl] benzoate
|
572.60
|
3.5
|
1
|
10
|
137.96
|
7
|
|
|
2-[(4bS,8aS)-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-2-yl]propan-2-ol
|
286.50
|
5.6
|
1
|
1
|
20.23
|
1
|
|
|
3-[[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-7-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[3-(4-hydroxyphenyl)prop-2-enoyloxymethyl]oxan-2-yl]oxychromenylium-5-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid
|
843.70
|
|
11
|
20
|
340.42
|
15
|
|
|
3-[[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-6-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-7-hydroxychromenylium-5-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid
|
859.70
|
|
12
|
21
|
360.65
|
15
|
|
|
[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
|
773.70
|
|
12
|
18
|
317.28
|
11
|
|
|
methyl (11S,12R,17S)-6-hydroxy-12-[(1R)-1-hydroxyethyl]-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2(7),3,5,9-tetraene-10-carboxylate
|
356.40
|
1.6
|
3
|
6
|
82.03
|
3
|
|
|
[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-3-yl] 3,4,5-trihydroxy-2-(6,7,13,14-tetrahydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4(16),5,7,11,13-hexaen-5-yl)benzoate
|
784.50
|
0
|
13
|
22
|
385.24
|
8
|
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