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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
methyl beta-D-fructofuranoside
|
194.18
|
-1.6
|
4
|
6
|
99.38
|
3
|
|
|
(R)-3,4-Dimethoxy-alpha-((methylamino)methyl)benzenemethanol
|
211.26
|
0.2
|
2
|
4
|
50.72
|
5
|
|
|
Licorice-saponin H2
|
822.90
|
3.7
|
8
|
16
|
267.04
|
7
|
|
|
(2',2'-dimethyl-4,5'-dioxo-2-phenylspiro[8H-furo[2,3-h]chromene-9,4'-oxolane]-3'-yl) acetate
|
420.40
|
2.9
|
0
|
7
|
92.04
|
3
|
|
|
Glabratephrin
|
420.40
|
2.9
|
0
|
7
|
92.04
|
3
|
|
|
24,25-Dihydroxyvitamin D
|
416.60
|
5
|
3
|
3
|
60.69
|
6
|
|
|
[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-2-yl]methyl acetate
|
745.00
|
9.5
|
0
|
10
|
123.66
|
17
|
|
|
ST 29:2;O;Hex
|
574.80
|
7
|
4
|
6
|
99.38
|
8
|
|
|
Stigmasteryl-beta-d-glucopyranoside
|
574.80
|
7
|
4
|
6
|
99.38
|
8
|
|
|
ST 28:1;O;Hex
|
562.80
|
7.2
|
4
|
6
|
99.38
|
8
|
|
|
(2R,3R,4S,5S,6R)-2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
562.80
|
7.2
|
4
|
6
|
99.38
|
8
|
|
|
campesterol beta-D-glucoside
|
562.80
|
7.2
|
4
|
6
|
99.38
|
8
|
|
|
campesterol-3-O-beta-d-glucoside
|
562.80
|
7.2
|
4
|
6
|
99.38
|
8
|
|
|
24-methylenecholesteryl beta-D-glucoside
|
560.80
|
7
|
4
|
6
|
99.38
|
8
|
|
|
Isofucosterol glucoside
|
574.80
|
7.3
|
4
|
6
|
99.38
|
8
|
|
|
(2R,3R,4S,5S,6R)-2-[[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(Z,2R)-5-propan-2-ylhept-5-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
574.80
|
7.3
|
4
|
6
|
99.38
|
8
|
|
|
Maesol
|
442.60
|
9.5
|
2
|
4
|
58.92
|
15
|
|
|
Helicide
|
284.26
|
-0.9
|
4
|
7
|
116.45
|
4
|
|
|
1-[(2E)-2-(2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene)ethylidene]-6-hydroxy-5-[3,4,5-trihydroxy-6-(sulfooxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-ium-2-carboxylate
|
630.50
|
-1.8
|
8
|
17
|
301.13
|
8
|
|
|
Gibberellic Acid 3-Isolactone
|
346.40
|
-0.5
|
3
|
6
|
104.06
|
1
|
|
|
Herbacetin 3,7,4'-trimethyl ether
|
344.30
|
3.1
|
2
|
7
|
98.36
|
4
|
|
|
2,3,4-Tri-O-methyl-alpha-D-xylopyranose
|
192.21
|
-0.9
|
1
|
5
|
57.15
|
3
|
|
|
Dehydrotanshinone II A
|
292.30
|
4
|
0
|
3
|
47.28
|
0
|
|
|
[(10R,11S,12R,13S,15R)-3,4,5,13,21,22,23-heptahydroxy-8,18-dioxo-12-(3,4,5-trihydroxybenzoyl)oxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-11-yl] 3,4,5-trihydroxybenzoate
|
786.60
|
1.2
|
13
|
22
|
377.42
|
6
|
|
|
2-(Benzylideneamino)-2-phenylacetic acid
|
239.27
|
3
|
1
|
3
|
49.66
|
4
|
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