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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1S,2R,6S,7S,8S)-8-hydroxy-1,2,6,8-tetramethyltricyclo[5.3.1.02,6]undecan-9-one
|
236.35
|
3.1
|
1
|
2
|
37.3
|
0
|
|
|
(+)-Physagulin C
|
542.60
|
1.5
|
2
|
9
|
135.19
|
4
|
|
|
(2S,3S,4S,5R,6S)-6-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
|
778.90
|
3.9
|
7
|
14
|
229.74
|
7
|
|
|
(2S,3S,4S,5R,6S)-6-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-3,4-dihydroxy-5-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylic acid
|
778.90
|
3.5
|
7
|
14
|
229.74
|
6
|
|
|
(NZ)-N-[(E)-4-(2,2,6-trimethylcyclohexyl)but-3-en-2-ylidene]hydroxylamine
|
209.33
|
4.1
|
1
|
2
|
32.59
|
2
|
|
|
(7aS)-1,4,4,7a-tetramethyl-5H-indene
|
174.28
|
3.7
|
0
|
0
|
0
|
0
|
|
|
(1S,2S,7R,9R,13R,14S,15R,16S,17R)-14,16-dihydroxy-4,15-dimethoxy-2,14,17-trimethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-ene-3,11-dione
|
394.50
|
1
|
2
|
7
|
102.29
|
2
|
|
|
[(1S,2S,4S,7R,9R,13R,14S,15R,16S,17R)-4,15-diacetyloxy-14-hydroxy-2,14,17-trimethyl-3,11-dioxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadecan-16-yl] 1,3-benzodioxole-5-carboxylate
|
600.60
|
2.8
|
1
|
12
|
160.96
|
7
|
|
|
(1R,3R,5R,6R,8R)-5-bromo-3-[(1S)-1-bromopropyl]-8-[(Z)-pent-2-en-4-ynyl]-2,7-dioxabicyclo[4.2.1]nonane
|
392.13
|
4.2
|
0
|
2
|
18.46
|
4
|
|
|
Quercetin 3,7,4a(2)-triglucoside
|
788.70
|
-3.2
|
14
|
22
|
368.81
|
10
|
|
|
[(E)-2-[[(3aR,4R,9aS,9bR)-6,9-dimethyl-3-methylidene-2-oxo-3a,4,5,7,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl]oxycarbonyl]-4-hydroxybut-2-enyl] (E)-4-hydroxy-2-(hydroxymethyl)but-2-enoate
|
474.50
|
-0.3
|
3
|
9
|
139.59
|
10
|
|
|
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5'-(hydroxymethyl)-7,9,13-trimethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
738.90
|
1.8
|
7
|
13
|
196.99
|
6
|
|
|
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(1S,2S,4S,5'R,6S,6'S,7S,8R,9S,12S,13R,16S)-6'-methoxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
752.90
|
3
|
6
|
13
|
185.99
|
6
|
|
|
[(2R,3R,4R,5R,6R)-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-2-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
784.80
|
-1.4
|
9
|
19
|
282.21
|
15
|
|
|
[(1S,4aS,6S,7R,7aS)-4-formyl-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-6-yl] (E)-3-phenylprop-2-enoate
|
490.50
|
0.9
|
4
|
10
|
151.98
|
8
|
|
|
[(1S,4aR,6S,7R,7aR)-4-formyl-4a-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-6-yl] (E)-3-phenylprop-2-enoate
|
506.50
|
0.4
|
5
|
11
|
172.21
|
8
|
|
|
(1S,3R,6R,7S,8S,10R,11R,12S,13S,16S,17R)-8-tert-butyl-6,12,17-trihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione
|
424.40
|
-0.4
|
3
|
10
|
148.82
|
1
|
|
|
(1R,3R,6R,7S,8S,9R,10S,11R,12S,13R,16S,17S)-8-tert-butyl-6,9,12-trihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione
|
424.40
|
-0.3
|
3
|
10
|
148.82
|
1
|
|
|
[(3S,5S,8R,16S,22R,24S)-10,22-dihydroxy-12,19-bis(2-hydroxypropan-2-yl)-4,4,8,25,25-pentamethyl-11-oxo-2,17-dioxaheptacyclo[16.13.0.03,8.03,16.09,14.021,31.024,29]hentriaconta-1(31),9,12,14,18,20,28-heptaen-5-yl] acetate
|
702.90
|
5.4
|
4
|
9
|
142.75
|
4
|
|
|
[(2S,3R,4S,5S,6R)-2-[[(1S,4aR,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] benzoate
|
450.40
|
-0.8
|
5
|
10
|
155.14
|
7
|
|
|
[(4S,4aR,5R,6S)-3,4a,5-trimethyl-6-(2-methylprop-2-enoyloxy)-9-oxo-4,5,6,7-tetrahydrobenzo[f][1]benzofuran-4-yl] (Z)-2-methylbut-2-enoate
|
412.50
|
5
|
0
|
6
|
82.81
|
6
|
|
|
CID 101600017
|
518.70
|
3
|
2
|
7
|
94.45
|
4
|
|
|
[(4S,4aR,5R,6S)-3,4a,5-trimethyl-4-(2-methylprop-2-enoyloxy)-9-oxo-4,5,6,7-tetrahydrobenzo[f][1]benzofuran-6-yl] 2-methylprop-2-enoate
|
398.40
|
4.8
|
0
|
6
|
82.81
|
6
|
|
|
(1R,4E,10S)-4,11,11-trimethyl-8-methylidenebicyclo[8.1.0]undec-4-ene
|
204.35
|
4.3
|
0
|
0
|
0
|
0
|
|
|
N-[(6S,8R,11R,12S,14R,15S,16R)-15-[(1S)-1-(dimethylamino)ethyl]-14-hydroxy-7,7,12,16-tetramethyl-6-tetracyclo[9.7.0.03,8.012,16]octadeca-1(18),2-dienyl]benzamide
|
504.70
|
6.1
|
2
|
3
|
52.57
|
4
|
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