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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[2-(3,4-dihydroxyphenyl)-6,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,6-trihydroxy-5-oxo-1-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)benzo[7]annulene-8-carboxylate
|
700.60
|
4.1
|
10
|
15
|
264.13
|
5
|
|
|
[2-(3,4-dihydroxyphenyl)-6,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 1-[5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-3,4-dihydro-2H-chromen-2-yl]-3,4,6-trihydroxy-5-oxobenzo[7]annulene-8-carboxylate
|
852.70
|
5.2
|
12
|
19
|
330.89
|
8
|
|
|
Gossyrubilone
|
343.40
|
3.5
|
2
|
5
|
86.96
|
5
|
|
|
Carthamin
|
910.80
|
-2.5
|
15
|
22
|
407.26
|
11
|
|
|
Avenalumin III
|
291.30
|
3.6
|
1
|
4
|
63.33
|
3
|
|
|
Charine
|
274.23
|
-3.7
|
6
|
8
|
176.94
|
2
|
|
|
Homofluorodaturatine
|
254.28
|
1.3
|
1
|
3
|
54.59
|
0
|
|
|
Decylcyclopentane
|
210.40
|
7.8
|
0
|
0
|
0
|
9
|
|
|
Dihydroencecalin
|
234.29
|
2.6
|
0
|
3
|
35.53
|
2
|
|
|
(2S)-4-[2-[(2S)-2-carboxy-5,6-dihydroxy-2,3-dihydroindol-1-yl]ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid
|
388.30
|
0.6
|
5
|
10
|
167.96
|
5
|
|
|
(6r,s)-5,10-Methenyltetrahydrofolate
|
455.40
|
-1
|
5
|
8
|
196.58
|
6
|
|
|
cis-Vitamin K2
|
444.60
|
8.9
|
0
|
2
|
34.14
|
11
|
|
|
methyl (3R,21S,22S)-16-ethenyl-11-ethyl-12-(hydroxymethylidene)-17,21,26-trimethyl-4-oxo-22-[3-oxo-3-[(E,7S,11S)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5(26),6,8,10,13(25),14,16,18(24),19-decaene-3-carboxylate
|
885.20
|
11
|
2
|
10
|
139.01
|
22
|
|
|
2'-Deoxyadenosine
|
251.24
|
-0.5
|
3
|
7
|
119.31
|
2
|
|
|
(E)-1-[3-[(1R,5S,6R)-6-[2,4-dihydroxy-3-(3-methylbut-2-enyl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2,4-dihydroxyphenyl]-3-(2,4-dihydroxyphenyl)prop-2-en-1-one
|
678.70
|
7.8
|
8
|
10
|
195.98
|
9
|
|
|
7-methoxy-6-[(1S)-1-[(1R)-1-(7-methoxy-2,2-dimethylchromen-6-yl)ethoxy]ethyl]-2,2-dimethylchromene
|
450.60
|
5.7
|
0
|
5
|
46.15
|
6
|
|
|
4H-Imidazol-4-one, 2-amino-1,5-dihydro-1-methyl-
|
113.12
|
-0.8
|
2
|
2
|
56.19
|
0
|
|
|
2,6-Dihydroxy-9-phenylphenalen-1-one
|
288.30
|
4.3
|
2
|
3
|
57.53
|
1
|
|
|
methyl (1R,9R,16R,18R,20R,21R)-20-hydroxy-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7-triene-18-carboxylate
|
354.40
|
2
|
2
|
5
|
61.8
|
2
|
|
|
Medicagenic acid-3-O-glucopyranoside
|
664.80
|
3.6
|
7
|
11
|
194.21
|
5
|
|
|
(2S,3R,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-3-[(2R,3R,4S,5S,6R)-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-4,8a-dicarboxylic acid
|
664.80
|
3.6
|
7
|
11
|
194.21
|
5
|
|
|
2-methyl-5-(8Z,11Z)-8,11,14-pentadecatrienyl-1,3-benzenediol
|
328.50
|
7.5
|
2
|
2
|
40.46
|
12
|
|
|
1-(4-Hydroxy-3-methoxyphenyl)undecan-3-one
|
292.40
|
4.3
|
1
|
3
|
46.53
|
11
|
|
|
Acetyldelcosine
|
495.60
|
-0.5
|
3
|
9
|
117.92
|
7
|
|
|
Apigenin 6-C-glucosyl-8-C-arabinoside
|
726.60
|
-3.4
|
13
|
19
|
330.12
|
8
|
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