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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1S,2S,3R,4S,6R,7R,8S)-1,2-Dimethyl-8-propan-2-yltetracyclo[4.4.0.02,4.03,7]decane
|
204.35
|
4.9
|
0
|
0
|
0
|
1
|
|
|
(1R,2R,5S,7R)-2,6,6-Trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecane
|
204.35
|
4.9
|
0
|
0
|
0
|
0
|
|
|
Oxalic acid-13C2 dihydrate
|
128.05
|
|
4
|
6
|
137.6
|
1
|
|
|
Patrinoside
|
462.50
|
-1.1
|
6
|
11
|
175.37
|
9
|
|
|
(113C)Tetracosanoic acid
|
369.60
|
10.7
|
1
|
2
|
37.3
|
22
|
|
|
(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,6Ar,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
|
822.90
|
3.7
|
8
|
16
|
267.04
|
7
|
|
|
3-Dihydrocadambine
|
546.60
|
-0.4
|
6
|
11
|
174.17
|
5
|
|
|
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine
|
340.33
|
-5.2
|
8
|
11
|
201.11
|
4
|
|
|
3-[(3S,3aR,5aR,6R,7S,9aR,9bR)-3-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-6,9a,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[a]naphthalen-6-yl]propanoic acid
|
474.70
|
7.3
|
2
|
4
|
66.76
|
6
|
|
|
Verruculotoxin
|
244.33
|
2.3
|
1
|
2
|
32.34
|
2
|
|
|
Aloperine
|
232.36
|
1.6
|
1
|
2
|
15.27
|
0
|
|
|
5-Hydroxy-7,8,2',5'-tetramethoxy-flavone-5-o-beta-D-glucopyranoside
|
520.50
|
0.9
|
4
|
12
|
166.51
|
8
|
|
|
Andrographic acid
|
364.40
|
2.6
|
4
|
6
|
115.06
|
5
|
|
|
5-Hydroxy-7,8-dimethoxy (2R)-flavanone-5-o-beta-D-glucopyranoside
|
462.40
|
0.7
|
4
|
10
|
144.14
|
6
|
|
|
Limbatenolide D
|
326.40
|
3.6
|
0
|
4
|
56.51
|
0
|
|
|
Limbatenolide E
|
326.40
|
2.7
|
0
|
4
|
52.6
|
0
|
|
|
(2S)-5,7,3',5'-tetrahydroxyflavanone-7-O-beta-D-glucopyranoside
|
450.40
|
0.2
|
7
|
11
|
186.37
|
4
|
|
|
6-[(3R,3aS,6R,6aS)-6-(7-methoxy-1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-4-methoxy-1,3-benzodioxole
|
414.40
|
2.6
|
0
|
8
|
73.84
|
4
|
|
|
5-[(3R,3aS,6R,6aS)-6-(7-methoxy-1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-3-methoxybenzene-1,2-diol
|
402.40
|
2.1
|
2
|
8
|
95.84
|
4
|
|
|
[(2S,3R,4R)-2-(7-methoxy-1,3-benzodioxol-5-yl)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]oxolan-3-yl]methanol
|
416.40
|
2.7
|
1
|
8
|
84.84
|
6
|
|
|
[(5R,6R,7S)-6-(acetyloxymethyl)-5-(4-hydroxy-3,5-dimethoxyphenyl)-4-methoxy-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxol-7-yl]methyl acetate
|
502.50
|
3.3
|
1
|
10
|
118.98
|
10
|
|
|
4-[(3R,3aS,6R,6aS)-3-(7-methoxy-1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxyphenol
|
416.40
|
2.4
|
1
|
8
|
84.84
|
5
|
|
|
4-[(3S,3aR,6S,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxyphenol
|
386.40
|
2.5
|
1
|
7
|
75.61
|
4
|
|
|
Azuleno[4,5-b]furan-2,9-dione, decahydro-6a-hydroxy-9a-methyl-3-methylene-6-[(1-oxopropoxy)methyl]-, (3aS,6R,6aR,9aS,9bR)-
|
336.40
|
1.1
|
1
|
6
|
89.9
|
4
|
|
|
Hispitolide B
|
350.40
|
1.5
|
1
|
6
|
89.9
|
5
|
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