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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Avenanthramide E
|
313.30
|
2.9
|
3
|
5
|
95.86
|
5
|
|
|
[(1R,4S,5S,6S)-4-benzoyloxy-5,6-dihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-yl] benzoate
|
384.40
|
2.1
|
3
|
7
|
113.29
|
7
|
|
|
6-Hydroxy-8-chloro-2-(2-phenylethyl) chromone
|
300.70
|
4
|
1
|
3
|
50.44
|
3
|
|
|
(2R,3R,4S,5S,6R)-2-[(1R,2R)-1,5-bis(3,4-dihydroxyphenyl)-1-methoxypent-4-yn-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
492.50
|
0.3
|
8
|
11
|
189.53
|
8
|
|
|
Isocephalotaxine
|
315.40
|
1.3
|
1
|
5
|
51.16
|
1
|
|
|
(1S,2S,4S,7R,9S,12R,13S,16S)-4-(furan-3-yl)-12-hydroxy-2,16-dimethyl-13-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylsulfanyl]-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadecane-6,11-dione
|
598.70
|
0.4
|
5
|
13
|
210.65
|
7
|
|
|
(5beta,9R,10alpha)-15,16-Epoxylabda-8(17),13(16),14-trien-19-oic acid
|
316.40
|
4.9
|
1
|
3
|
50.44
|
4
|
|
|
Helioscopinolide A
|
316.40
|
3.2
|
1
|
3
|
46.53
|
0
|
|
|
8-(1H-indol-3-yl)-2-methoxy-6-methylnaphthalene-1,4-dione
|
317.30
|
3.7
|
1
|
3
|
59.16
|
2
|
|
|
(3R,6Z)-3-methyl-6-[[2-(2-methylbut-3-en-2-yl)-6,7-bis(3-methylbut-2-enyl)-1H-indol-3-yl]methylidene]piperazine-2,5-dione
|
459.60
|
7.2
|
3
|
2
|
73.99
|
7
|
|
|
Crotafuran A
|
320.30
|
4.5
|
1
|
4
|
51.83
|
1
|
|
|
methyl 1,6-dihydroxy-9H-carbazole-3-carboxylate
|
257.24
|
2.5
|
3
|
4
|
82.55
|
2
|
|
|
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-2-(5-hydroxy-1H-indol-3-yl)-N-sulfooxyethanimidothioate
|
464.50
|
-0.4
|
7
|
12
|
235.81
|
7
|
|
|
(2R,3R,4R,5S)-2-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]piperidine-3,4,5-triol
|
325.31
|
-4.5
|
8
|
10
|
172.1
|
4
|
|
|
(2S,3R,4S,5S,6R)-2-[(2R,3R,4R,5S)-3,5-dihydroxy-2-(hydroxymethyl)piperidin-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
325.31
|
-3.9
|
8
|
10
|
172.1
|
4
|
|
|
Romucosine A
|
325.40
|
3
|
1
|
4
|
59
|
2
|
|
|
(6aS)-1,11-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,10-diol
|
327.40
|
2.2
|
2
|
5
|
62.16
|
2
|
|
|
3,7,11,15-Tetramethylhexadecan-1-ol
|
298.50
|
8.5
|
1
|
1
|
20.23
|
14
|
|
|
(E)-N-[(2S)-2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]-3-(4-methoxyphenyl)prop-2-enamide
|
329.30
|
1.7
|
4
|
5
|
99.02
|
6
|
|
|
(10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-dien-6-one
|
244.33
|
1.6
|
0
|
2
|
25.24
|
0
|
|
|
((1S,4aR,4bR,10aR)-7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthren-1-yl)methanol
|
288.50
|
4.9
|
1
|
1
|
20.23
|
2
|
|
|
(1R,5S,7R)-3-[(3,4-dihydroxyphenyl)-hydroxymethylidene]-6,6-dimethyl-5,7-bis(3-methylbut-2-enyl)-1-[(2R)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]bicyclo[3.3.1]nonane-2,4,9-trione
|
602.80
|
10.3
|
3
|
6
|
111.9
|
10
|
|
|
(14R)-14-methyl-13-oxa-8-azatricyclo[6.5.3.04,12]hexadeca-1,4(12)-diene-3,16-dione
|
261.32
|
1
|
0
|
3
|
50.52
|
0
|
|
|
(E)-3-[4-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid
|
458.40
|
-1.5
|
7
|
12
|
195.6
|
8
|
|
|
(Z)-3-[4-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid
|
458.40
|
-1.5
|
7
|
12
|
195.6
|
8
|
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