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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Thiiraneacetonitrile
|
99.16
|
0.4
|
0
|
2
|
49.09
|
1
|
|
|
Thiiranebutanenitrile
|
127.21
|
1.1
|
0
|
2
|
49.09
|
3
|
|
|
(2R)-2-methyl-2H-thiopyran
|
112.19
|
2.1
|
0
|
1
|
25.3
|
0
|
|
|
3',4',5,6-Tetrahydroxy-3,7-dimethoxyflavone
|
346.30
|
2.5
|
4
|
8
|
129.59
|
3
|
|
|
(2S)-5-Methoxyflavan-7-ol
|
256.30
|
3.4
|
1
|
3
|
38.69
|
2
|
|
|
Dracoflavan A
|
794.90
|
10
|
3
|
10
|
133.14
|
12
|
|
|
CID 14886031
|
784.50
|
0
|
13
|
22
|
385.24
|
8
|
|
|
1,3,6-Trihydroxy-5-methoxy-2-prenylxanthone
|
342.30
|
4.3
|
3
|
6
|
100.13
|
3
|
|
|
toxyloxanthone B
|
326.30
|
3.4
|
3
|
6
|
100.13
|
0
|
|
|
2-Cyclopentenone, 2-hydroxy-5-methyl-
|
112.13
|
1
|
1
|
2
|
37.3
|
0
|
|
|
3,6,7,4'-Tetramethoxyflavone
|
342.30
|
3.3
|
0
|
6
|
67.13
|
5
|
|
|
14,15-Dimethoxy-3,5-dioxa-10-azapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1(18),2(6),7,11(19),12,14,16-heptaen-9-one
|
323.30
|
3.1
|
1
|
5
|
66.02
|
2
|
|
|
5-Hydroxy-3,7,8,2'-tetramethoxyflavone
|
358.30
|
3.5
|
1
|
7
|
87.36
|
5
|
|
|
(2S,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-8-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
|
656.50
|
-1.6
|
12
|
19
|
326.96
|
7
|
|
|
HYPOLAETIN 8-O-beta-D-GLUCURONIDE
|
478.40
|
0.4
|
8
|
13
|
227.58
|
4
|
|
|
(1S,2S,7R,9R,11S,13S,14R,15S,16S,17S)-16-hydroxy-4,11,15-trimethoxy-2,14,17-trimethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-3-one
|
394.50
|
2.6
|
1
|
6
|
74.22
|
3
|
|
|
[(1S,2S,4S,7R,9R,13S,14R,15S,16S,17S)-4,15-dimethoxy-2,14,17-trimethyl-3,11-dioxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadecan-16-yl] 1,3-benzodioxole-5-carboxylate
|
528.60
|
3.9
|
0
|
9
|
106.59
|
5
|
|
|
(1S,2S,6S,7S,9R,11R,13S,14R,15S,16S,17S)-11,16-dihydroxy-4,15-dimethoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-3-one
|
394.50
|
2.4
|
2
|
6
|
85.22
|
2
|
|
|
[(1S,2S,8R,9S,27R,29S,30R,39R)-1,2,14,15,16,19,20,21,35,36-decahydroxy-3,6,11,24,32-pentaoxo-2-(2-oxopropyl)-7,10,25,28,31,40-hexaoxaoctacyclo[35.2.1.05,39.08,27.09,30.012,17.018,23.033,38]tetraconta-4,12,14,16,18,20,22,33,35,37-decaen-29-yl] 3,4,5-trihydroxybenzoate
|
992.70
|
0.2
|
13
|
27
|
447.09
|
5
|
|
|
6-Demethylvignafuran
|
256.25
|
3.2
|
2
|
4
|
62.83
|
2
|
|
|
6-[(8a-Carboxy-4,4,6a,6b,14b-pentamethyl-11-methylidene-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
|
616.80
|
4.9
|
5
|
9
|
153.75
|
4
|
|
|
6-[[4,4,6a,6b,14b-Pentamethyl-11-methylidene-8a-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
|
778.90
|
3.1
|
8
|
14
|
232.9
|
7
|
|
|
[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 9-(hydroxymethyl)-6a,6b,9,12a-tetramethyl-2-methylidene-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
780.90
|
1.6
|
9
|
14
|
236.06
|
8
|
|
|
6-[[8a-Carboxy-4-(hydroxymethyl)-4,6a,6b,14b-tetramethyl-11-methylidene-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
|
632.80
|
3.6
|
6
|
10
|
173.98
|
5
|
|
|
(1R,4S,5R,8R,10S,13R,14R,20S)-10-hydroxy-4,5,9,9,13,20-hexamethyl-21-oxahexacyclo[18.2.2.01,18.04,17.05,14.08,13]tetracos-17-en-22-one
|
440.70
|
6.2
|
1
|
3
|
46.53
|
0
|
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