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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,12aS,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-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)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
|
911.10
|
2.1
|
9
|
17
|
271.59
|
8
|
|
|
Ukrain cation
|
1252.30
|
6.2
|
6
|
19
|
249.44
|
12
|
|
|
Gypenoside XLIX
|
1047.20
|
0.4
|
12
|
21
|
333.67
|
15
|
|
|
(3S,10R,13R,17R)-10,13-dimethyl-17-[(Z,2R)-5-propan-2-ylhept-5-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
412.70
|
8.9
|
1
|
1
|
20.23
|
5
|
|
|
8-(3,7-dimethylocta-2,6-dienyl)-1-[8-(3,7-dimethylocta-2,6-dienyl)-2-hydroxy-7-methoxy-3-methyl-9H-carbazol-1-yl]-7-methoxy-3-methyl-9H-carbazol-2-ol
|
725.00
|
14
|
4
|
4
|
90.5
|
13
|
|
|
3-[(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
712.70
|
6.6
|
3
|
12
|
159.44
|
17
|
|
|
(E)-2-(3,7-dimethylocta-2,6-dien-1-yl)-5-pentylbenzene-1,3-diol
|
316.50
|
7.4
|
2
|
2
|
40.46
|
9
|
|
|
Miltirone
|
282.40
|
4.9
|
0
|
2
|
34.14
|
1
|
|
|
4,5-Bis(hydroxymethyl)-2-methylpyridin-3-ol;2-methylidenepentanedioate
|
311.29
|
|
3
|
8
|
153.84
|
4
|
|
|
2-(3-Methoxy-4-prop-2-enylphenyl)-4-prop-2-enylphenol
|
280.40
|
5.3
|
1
|
2
|
29.46
|
6
|
|
|
Arbusculin A
|
250.33
|
2.8
|
1
|
3
|
46.53
|
0
|
|
|
[(1S,2S,4R,5S,6R,7R,9R,12S)-5,12-diacetyloxy-6-(acetyloxymethyl)-4-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate
|
532.60
|
2.6
|
1
|
10
|
134.66
|
10
|
|
|
2-(4-Cyclohexylphenoxy)ethanol
|
220.31
|
3.9
|
1
|
2
|
29.46
|
4
|
|
|
Perlolyrine
|
264.28
|
2.2
|
2
|
3
|
62.05
|
2
|
|
|
Lucidin primeveroside
|
564.50
|
-2.1
|
8
|
14
|
232.9
|
6
|
|
|
(2R)-4-[(13R)-13-hydroxy-13-[(2R,5S)-5-[(Z,1R)-1-hydroxypentadec-4-enyl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one
|
590.90
|
12.2
|
2
|
5
|
75.99
|
27
|
|
|
Aloesin
|
394.40
|
-1.3
|
5
|
9
|
157.66
|
4
|
|
|
2-(4,5-Dihydroxy-2-methylphenyl)-4-methoxybenzenecarboperoxoic acid
|
290.27
|
2.5
|
3
|
6
|
96.22
|
4
|
|
|
(4aR,8aR)-4a,5-dimethyl-3-propan-2-ylidene-1,2,4,7,8,8a-hexahydronaphthalene
|
204.35
|
4.6
|
0
|
0
|
0
|
0
|
|
|
cimicifoetiside B
|
704.90
|
4.8
|
3
|
11
|
150.21
|
7
|
|
|
cimicifoetiside A
|
662.80
|
4.3
|
4
|
10
|
144.14
|
5
|
|
|
Cimigenol
|
488.70
|
5.2
|
3
|
5
|
79.15
|
1
|
|
|
[[2-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)-2-sulfanyl-oxan-2-yl]-3-oxidanyl-pent-4-enoyl]amino] hydrogen sulfate
|
405.40
|
-3.4
|
8
|
12
|
250.26
|
7
|
|
|
13-Oxo-9,11-octadecadienoic acid
|
294.40
|
5.2
|
1
|
3
|
54.37
|
14
|
|
|
[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-2-(1-methoxyindol-3-yl)-N-sulfooxyethanimidothioate
|
478.50
|
0.3
|
5
|
12
|
213.95
|
8
|
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