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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(1R,3R,4R,5R,7S,8S,9R,10E,12S,13S,14R)-4,8,13-triacetyloxy-14-hydroxy-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.01,12.05,7]hexadec-10-en-9-yl] (2S)-2-hydroxy-2-(4-methoxyphenyl)acetate
|
672.70
|
2
|
2
|
13
|
184.49
|
11
|
|
|
3-[(1R,4S,7R,10S,13S,19S,22S,25R,28S,31S,34S,39S,42S,45S,48R,54S,57S,60R,63S,66S,72S,75R,78S,81S,87S)-36-amino-28,31,72-tris(4-aminobutyl)-34-(2-amino-2-oxoethyl)-66-(3-amino-3-oxopropyl)-22,45-bis[(2S)-butan-2-yl]-4,57,81-tris[(1R)-1-hydroxyethyl]-10,39-bis(hydroxymethyl)-42,78-bis[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-2,5,8,11,14,20,23,26,29,32,35,37,40,43,46,49,52,55,58,61,64,67,70,73,76,79,82,88,91-nonacosaoxo-63-propan-2-yl-2a,3a,94,95,98,99-hexathia-3,6,9,12,15,21,24,27,30,33,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,83,89,92-octacosazahexacyclo[46.44.4.47,60.425,75.015,19.083,87]tetrahectan-54-yl]propanoic acid
|
3106.60
|
-9
|
41
|
50
|
1351.05
|
36
|
|
|
3-[4-[3-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-sulfooxypropan-2-yl]oxy-3-methoxyphenyl]prop-2-enoic acid
|
470.40
|
1.3
|
4
|
11
|
177.43
|
11
|
|
|
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 5-methyl-N-sulfooxyhexanimidothioate
|
403.50
|
0.4
|
5
|
11
|
199.79
|
9
|
|
|
[2-[2-[7-[3,4-Dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
1111.00
|
-2.6
|
16
|
29
|
463.26
|
18
|
|
|
(1S,2R)-1,3-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-3-ene
|
204.35
|
4.5
|
0
|
0
|
0
|
1
|
|
|
(1S,5S,6S,8S,9S,13S,16S)-11-ethyl-6-methoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,16-triol
|
407.50
|
0.4
|
3
|
6
|
82.39
|
4
|
|
|
(5S,6S,8S,10R,13R)-11-ethyl-6,16-dimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8-diol
|
377.50
|
1.2
|
2
|
5
|
62.16
|
3
|
|
|
(E,6R)-6-[(1S,3R,6S,12S,15R,16R)-6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-2-methylhept-2-enoic acid
|
456.70
|
8.5
|
2
|
3
|
57.53
|
5
|
|
|
25-Oxo-hentriacontanyl acetate
|
508.90
|
13.6
|
0
|
3
|
43.37
|
31
|
|
|
3-Methoxyflavone
|
252.26
|
3.7
|
0
|
3
|
39.44
|
2
|
|
|
10-Hydroxy majoroside
|
404.40
|
-3.3
|
6
|
11
|
175.37
|
6
|
|
|
CID 146014454
|
884.10
|
1.1
|
10
|
17
|
258.71
|
8
|
|
|
CID 146014457
|
421.60
|
0.9
|
2
|
6
|
71.39
|
5
|
|
|
[(2R,3R,5R,6S,7S,8R,13R,14R,16S,17S,18R)-11-ethyl-5,7,8,14-tetrahydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate
|
603.70
|
-0.3
|
4
|
11
|
147.38
|
9
|
|
|
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-3-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxyoxolan-2-yl]oxyoxan-2-yl]methyl 4-hydroxybenzoate
|
682.60
|
-0.5
|
7
|
17
|
249.59
|
15
|
|
|
Ligustrosidic acid
|
554.50
|
-1.1
|
6
|
14
|
218.74
|
12
|
|
|
Oleuropeinic acid
|
570.50
|
-1.5
|
7
|
15
|
238.97
|
12
|
|
|
methyl (1S,2R,4R,7E,9R,10R,11S)-9-acetyloxy-10-[(2S,3S)-2,3-dimethyloxirane-2-carbonyl]oxy-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-ene-8-carboxylate
|
464.50
|
1.4
|
0
|
10
|
130.26
|
7
|
|
|
Sdccgsbi-0051172.P002
|
404.16
|
-4.9
|
4
|
10
|
248.46
|
6
|
|
|
1-(2,6-Dihydroxy-4-methoxy-3-methylphenyl)ethanone
|
196.20
|
1.8
|
2
|
4
|
66.76
|
2
|
|
|
1-(2,6-Dihydroxy-4-methoxy-3,5-dimethylphenyl)ethanone
|
210.23
|
2.1
|
2
|
4
|
66.76
|
2
|
|
|
CID 14602302
|
444.50
|
4.2
|
4
|
8
|
133.52
|
5
|
|
|
9,10-Dihydro-1-(4'-hydroxybenzyl)-4,7-dimethoxy phenanthrene-2,8-diol
|
378.40
|
4.6
|
3
|
5
|
79.15
|
4
|
|
|
(1R,16Z,23S)-22-oxa-5,10,14-triazatetracyclo[16.9.2.01,23.021,28]nonacosa-2,16,18(29),19,21(28)-pentaene-4,15,25-trione
|
437.50
|
1.6
|
3
|
5
|
96.53
|
0
|
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