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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(2R,3S,4S,5R,6S)-6-[[(3S,4R,4aR)-4-ethenyl-4a-hydroxy-8-oxo-3,4,5,6-tetrahydropyrano[3,4-c]pyran-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 2,3-dihydroxybenzoate
|
510.40
|
-0.5
|
6
|
13
|
201.67
|
7
|
|
|
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl] (3S,4aR,5S,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-[(2E,6S)-2,6-dimethyl-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyocta-2,7-dienoyl]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
|
1713.80
|
-4.1
|
22
|
39
|
617.65
|
26
|
|
|
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl] (3S,4aR,5S,6aR,6aS,6bR,8aR,10S,12aR,14bS)-3-[(2E,6S)-6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2,6-dimethylocta-2,7-dienoyl]oxy-10-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-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
|
1846.00
|
-5.6
|
24
|
43
|
676.57
|
28
|
|
|
methyl (1S,4aS,5aS,6S,10aS)-5'-hydroxy-1-methyl-2'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylate
|
384.40
|
1.3
|
2
|
6
|
88.1
|
2
|
|
|
(2S,3R,4S,5S,6R)-2-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)oxy]-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
|
432.50
|
-1.8
|
6
|
10
|
158.3
|
5
|
|
|
Chamomillol
|
222.37
|
3.7
|
1
|
1
|
20.23
|
1
|
|
|
(1S,2S,4R,6R,7R)-6-bromo-4-[(1S)-1-bromopropyl]-2-[(E)-pent-2-en-4-ynyl]-3,8-dioxabicyclo[5.1.1]nonane
|
392.13
|
4.2
|
0
|
2
|
18.46
|
4
|
|
|
Muurol-4-ene-3,8-dione
|
234.33
|
2.6
|
0
|
2
|
34.14
|
1
|
|
|
3-[[(2R,3aR,7aR)-2-hydroxy-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridin-2-yl]methyl]quinazolin-4-one
|
301.34
|
0.4
|
2
|
5
|
76.38
|
2
|
|
|
(1R,11S,12R,13R,14Z,19S,21S)-10-(3-ethyl-7,12-dihydro-6H-indolo[2,3-a]quinolizin-5-ium-2-yl)-14-(2-hydroxyethylidene)-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6,9-tetraen-11-ol
|
583.70
|
3.8
|
3
|
4
|
66.61
|
3
|
|
|
(5R,8S)-8-hydroxy-5-propan-2-ylnonan-2-one
|
200.32
|
2.3
|
1
|
2
|
37.3
|
7
|
|
|
[(9R,10S)-3-hydroxy-9-(4-hydroxy-3-methoxyphenyl)-1-methoxy-5,6,9,10-tetrahydronaphtho[1,2-f][1]benzofuran-10-yl]methyl acetate
|
462.50
|
4.3
|
2
|
7
|
94.45
|
6
|
|
|
(3S)-3-hydroxy-2,2-dimethyl-3,4-dihydrobenzo[g]chromene-5,10-dione
|
258.27
|
1.7
|
1
|
4
|
63.6
|
0
|
|
|
[(3S)-2,2-dimethyl-5,10-dioxo-3,4-dihydrobenzo[g]chromen-3-yl] (2E,6E)-2,6-dimethylocta-2,6-dienoate
|
408.50
|
5.3
|
0
|
5
|
69.67
|
6
|
|
|
Porphobilinogen
|
226.23
|
-3.5
|
4
|
5
|
116.41
|
6
|
|
|
Lutein B/Calthaxanthin/3'-Epilutein
|
568.90
|
11
|
2
|
2
|
40.46
|
10
|
|
|
[(1S,2R,5R,6R,7S,9R)-7-benzoyloxy-2,6,10,10-tetramethyl-4-oxo-11-oxatricyclo[7.2.1.01,6]dodecan-5-yl] furan-3-carboxylate
|
466.50
|
4.4
|
0
|
7
|
92.04
|
6
|
|
|
[(1S,2R,5S,6S,7S,9R)-7-benzoyloxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-5-yl] furan-3-carboxylate
|
452.50
|
5.3
|
0
|
6
|
74.97
|
6
|
|
|
4-(1-Methoxy-3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-11-ylidene)cyclohexa-2,5-dien-1-one
|
308.40
|
3.5
|
0
|
4
|
32.78
|
1
|
|
|
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-(1-methoxy-3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-10-ium-11-yl)phenoxy]oxane-3,4,5-triol
|
471.50
|
2.5
|
4
|
7
|
117.42
|
5
|
|
|
5-hydroxy-2,2,6,6-tetramethyl-4-[(1S)-2-methyl-1-[2,4,6-trihydroxy-3-[(1R)-1-(2-hydroxy-3,3,5,5-tetramethyl-4,6-dioxocyclohexen-1-yl)-2-methylpropyl]-5-(2-methylpropanoyl)phenyl]propyl]cyclohex-4-ene-1,3-dione
|
668.80
|
7.2
|
5
|
10
|
186.5
|
8
|
|
|
2(S)-hydroxyalbicanol
|
238.37
|
2.6
|
2
|
2
|
40.46
|
1
|
|
|
2(S)-hydroxyalbicanol 11-acetate
|
280.40
|
3.2
|
1
|
3
|
46.53
|
3
|
|
|
[(1S,4aR,5S,6S,11bR)-5,6-diacetyloxy-4a-hydroxy-4,4,7,11b-tetramethyl-2,3,5,6-tetrahydro-1H-naphtho[2,1-f][1]benzofuran-1-yl] acetate
|
472.50
|
3.6
|
1
|
8
|
112.27
|
6
|
|
|
Quercetin 3-acetate 7,3',4'-tri-O-sulfate
|
584.50
|
0.5
|
4
|
17
|
292.68
|
9
|
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