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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
5,7-Dihydroxy-2-(3-hydroxyphenyl)-3-methoxychromen-4-one
|
300.26
|
2.2
|
3
|
6
|
100.13
|
2
|
|
|
Catechin 5-O-gallate
|
442.40
|
1.1
|
7
|
10
|
177.14
|
4
|
|
|
Catechin 5,3'-di-O-gallate
|
594.50
|
1.8
|
9
|
14
|
243.9
|
7
|
|
|
Catechin 5,4'-di-O-gallate
|
594.50
|
1.8
|
9
|
14
|
243.9
|
7
|
|
|
Catechin 5,7,-di-O-gallate
|
594.50
|
1.8
|
9
|
14
|
243.9
|
7
|
|
|
Erythbigenin
|
452.50
|
6.1
|
4
|
7
|
120.36
|
6
|
|
|
3-[4,5-Dihydroxy-3-methoxy-2-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxychromen-4-one
|
384.40
|
4.2
|
4
|
7
|
120.36
|
4
|
|
|
3',5'-Dimethoxy-4',5,7-trihydroxyisoflavone
|
330.29
|
2.6
|
3
|
7
|
109.36
|
3
|
|
|
[(1R,2E,8S,10R,11S)-10,11-dihydroxy-6-(methoxymethyl)-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-8-yl] 2-(hydroxymethyl)prop-2-enoate
|
410.40
|
-1.2
|
3
|
9
|
131.75
|
6
|
|
|
6-O-Caffeoylarbutin
|
434.40
|
0.8
|
6
|
10
|
166.14
|
7
|
|
|
coumaroyl(3-OH)(-6)All(b)-O-Ph(4-OH)
|
434.40
|
0.8
|
6
|
10
|
166.14
|
7
|
|
|
2-Methoxy-4-allylphenyl 6-O-D-apio-beta-D-furanosyl-beta-D-glucopyranoside
|
458.50
|
-1
|
6
|
11
|
167.53
|
9
|
|
|
Deoxyneocryptotanshinone
|
298.40
|
4.2
|
1
|
3
|
54.37
|
1
|
|
|
niveusin B
|
378.40
|
1.4
|
2
|
7
|
102.29
|
4
|
|
|
(3R)-3-hydroxy-3,5,5-trimethyl-7-propan-2-yl-2,4-dihydroinden-1-one
|
234.33
|
1.8
|
1
|
2
|
37.3
|
1
|
|
|
(1S,2S,5R,6S,10R,12R,14S)-5,14-dimethyl-9-methylidene-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradecan-4-one
|
248.32
|
2
|
0
|
3
|
38.83
|
0
|
|
|
(3aS,6aR,8S,9S,9aS,9bS)-8,9-dihydroxy-9-methyl-3,6-dimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one
|
264.32
|
0.9
|
2
|
4
|
66.76
|
0
|
|
|
4-[(3S,3aS,6R,6aS)-3,6-dimethyl-2-oxo-3a,4,5,6a-tetrahydro-3H-cyclopenta[b]furan-6-carbonyl]pent-4-enoic acid
|
280.32
|
1.6
|
1
|
5
|
80.67
|
5
|
|
|
4-[(3R,3aS,6R,6aS)-3,6-dimethyl-2-oxo-3a,4,5,6a-tetrahydro-3H-cyclopenta[b]furan-6-carbonyl]pent-4-enoic acid
|
280.32
|
1.6
|
1
|
5
|
80.67
|
5
|
|
|
(3S,3aS,6R,6aS)-3,6-dimethyl-2-oxo-3a,4,5,6a-tetrahydro-3H-cyclopenta[b]furan-6-carboxylic acid
|
198.22
|
1.1
|
1
|
4
|
63.6
|
1
|
|
|
(3R,3aS,6R,6aS)-3,6-dimethyl-2-oxo-3a,4,5,6a-tetrahydro-3H-cyclopenta[b]furan-6-carboxylic acid
|
198.22
|
1.1
|
1
|
4
|
63.6
|
1
|
|
|
[(3S,3aR,4R,5R,9aR,9bS)-4-acetyloxy-9a-hydroxy-3,6,9-trimethyl-2-oxo-3,3a,4,5,7,9b-hexahydroazuleno[4,5-b]furan-5-yl] (Z)-2-methylbut-2-enoate
|
404.50
|
1.4
|
1
|
7
|
99.13
|
5
|
|
|
(1R,2S)-1-(4-hydroxy-3,5-dimethoxyphenyl)-2-[4-(3-hydroxypropyl)-2,6-dimethoxyphenoxy]propane-1,3-diol
|
438.50
|
1.6
|
4
|
9
|
127.07
|
12
|
|
|
(2R,3R,4R,5R,6S)-2-[3-[4-[(1R,2S)-1,3-dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]propoxy]-6-methyloxane-3,4,5-triol
|
554.60
|
0.5
|
6
|
12
|
176.76
|
13
|
|
|
(2R)-3-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]propan-1-one
|
406.40
|
2.1
|
3
|
8
|
114.68
|
11
|
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