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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
1-[(3S,5S,8R,9S,10S,13S,14S)-3-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
|
935.00
|
-2.1
|
12
|
21
|
333.67
|
12
|
|
|
(4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,2,6b,9,9,12a-hexamethyl-4a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-6a-carboxylic acid
|
957.10
|
1.5
|
11
|
19
|
312.05
|
10
|
|
|
Polianthoside C
|
1227.30
|
-2
|
16
|
28
|
434.44
|
15
|
|
|
1H-2-Benzopyran-1-one, 3-(1-butynyl)-
|
198.22
|
3.1
|
0
|
2
|
30.21
|
1
|
|
|
1,2-Diisopropylbenzene
|
162.27
|
4.2
|
0
|
0
|
0
|
2
|
|
|
2-((2R,4aR,8aR)-4a,8-Dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-2-yl)acrylaldehyde
|
218.33
|
3.8
|
0
|
1
|
17.07
|
2
|
|
|
6-Hydroxy-7,8-dimethoxycoumarin
|
222.19
|
1.5
|
1
|
5
|
68.9
|
2
|
|
|
4-(7-methyl-2,3-dihydro-1H-indolizin-4-ium-6-yl)phenol
|
226.29
|
3
|
1
|
1
|
24.11
|
1
|
|
|
(3R)-3,6,8,9-tetrahydroxy-3-methyl-2,4-dihydroanthracen-1-one
|
274.27
|
2
|
4
|
5
|
97.99
|
0
|
|
|
1-Bromo-6-fluoro-3,4-dihydrophenanthrene
|
277.13
|
4.8
|
0
|
1
|
0
|
0
|
|
|
Charminarone
|
278.30
|
-0.1
|
0
|
5
|
77.51
|
4
|
|
|
1-(3,4-Dimethoxyphenyl)-5-hydroxyoctan-3-one
|
280.36
|
1.9
|
1
|
4
|
55.76
|
9
|
|
|
gamma-GLUTAMYL-S-ALLYLCYSTEINE
|
290.34
|
-2.8
|
4
|
7
|
155.02
|
10
|
|
|
Glabone
|
292.30
|
3.6
|
0
|
4
|
52.58
|
2
|
|
|
9alpha-Hydroxyisopimara-8(14),15-dien-7-one
|
302.50
|
4.5
|
1
|
2
|
37.3
|
1
|
|
|
(R)-b-(Boc-amino)-2,5-difluorobenzenebutanoic acid
|
315.31
|
2.6
|
2
|
6
|
75.63
|
7
|
|
|
Ophioglonol
|
316.26
|
0.8
|
5
|
7
|
131.36
|
2
|
|
|
Protosappanin A dimethyl acetal
|
318.32
|
2.2
|
3
|
6
|
88.38
|
2
|
|
|
5,9,17,17-Tetramethyl-3,8-dioxa-10-azapentacyclo[10.8.0.02,6.07,11.013,18]icosa-1(12),2(6),7(11),9,13(18),19-hexaene
|
321.40
|
6
|
0
|
3
|
35.26
|
0
|
|
|
1-[(1R,12R,13S,18S)-3,20-dimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4,6,8,16-pentaen-17-yl]ethanone
|
336.40
|
2.2
|
0
|
3
|
34.47
|
1
|
|
|
[6aS,(+)]-5,6,6a,7-Tetrahydro-1,2,9,10-tetramethoxy-4H-dibenzo[de,g]quinoline
|
341.40
|
2.9
|
1
|
5
|
48.95
|
4
|
|
|
2-(Acetyloxy)-5-methoxy-3-undecyl-2,5-cyclohexadiene-1,4-dione
|
350.40
|
5.9
|
0
|
5
|
69.67
|
13
|
|
|
Vitedoamine A
|
351.40
|
2.9
|
3
|
5
|
88.02
|
3
|
|
|
4-[(3R,3aR,6S,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxyphenol
|
356.40
|
2.5
|
1
|
6
|
66.38
|
3
|
|
|
3-Hydroxyflavone
|
238.24
|
3.4
|
1
|
3
|
50.44
|
1
|
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