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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Humulol
|
222.37
|
3.8
|
1
|
1
|
20.23
|
0
|
|
|
4,4-Dimethyl-2-cyclopenten-1-one
|
110.15
|
1.4
|
0
|
1
|
17.07
|
0
|
|
|
5-[(R)-methylsulfinyl]pentanenitrile
|
145.23
|
-0.3
|
0
|
3
|
60.07
|
4
|
|
|
HN-saponin F
|
767.00
|
2.9
|
8
|
13
|
215.83
|
7
|
|
|
Medicoside E
|
929.10
|
1.3
|
11
|
18
|
294.98
|
10
|
|
|
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
929.10
|
1.3
|
11
|
18
|
294.98
|
10
|
|
|
10-[3,5-Dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
797.00
|
3.1
|
9
|
14
|
236.06
|
8
|
|
|
[(2R,3S,4S,5R,6R)-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]-3,4,5-trihydroxyoxan-2-yl]methyl (9Z,12Z)-octadeca-9,12-dienoate
|
839.30
|
14.6
|
3
|
7
|
105.45
|
25
|
|
|
8-[(1S,2R)-2-hydroxy-1-methoxy-3-methylbut-3-enyl]-7-methoxychromen-2-one
|
290.31
|
2.2
|
1
|
5
|
68.9
|
5
|
|
|
7-hydroxy-8-[(E)-4-hydroxy-3-methylbut-2-enyl]chromen-2-one
|
246.26
|
2.2
|
2
|
4
|
70.67
|
3
|
|
|
2-Cyclohexen-1-one, 3,6,6-trimethyl-
|
138.21
|
1.7
|
0
|
1
|
17.07
|
0
|
|
|
(2S)-5-(diaminomethylideneamino)-2-(3-phenylprop-2-enoylamino)pentanoic acid
|
304.34
|
0.4
|
4
|
4
|
130.8
|
8
|
|
|
2-Isopropyl-5-methylanisole
|
164.24
|
3.8
|
0
|
1
|
9.23
|
2
|
|
|
8-[2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
|
556.50
|
4.5
|
7
|
11
|
198.12
|
3
|
|
|
5,3',4'-Trihydroxy-6,7,5'-trimethoxyflavone
|
360.30
|
2.6
|
3
|
8
|
118.59
|
4
|
|
|
(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
903.10
|
1.2
|
10
|
18
|
276.14
|
9
|
|
|
Phaseoloidin
|
330.29
|
-1.2
|
6
|
9
|
156.91
|
5
|
|
|
2,5-Dimethoxy-9,10-dihydrophenanthrene-1,7-diol
|
272.29
|
3.1
|
2
|
4
|
58.92
|
2
|
|
|
4,4',8,8'-Tetramethoxy[1,1'-biphenanthrene]-2,2',7,7'-tetrol
|
538.50
|
7
|
4
|
8
|
117.84
|
5
|
|
|
CID 14104288
|
370.40
|
3.5
|
3
|
6
|
96.22
|
4
|
|
|
Epicatechin 3-glucoside
|
452.40
|
-1.2
|
8
|
11
|
189.53
|
4
|
|
|
(+)-Catechin 3-O-glucose
|
452.40
|
-1.2
|
8
|
11
|
189.53
|
4
|
|
|
(2R,3R,4R,5S,6R)-2-[[(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
452.40
|
-1.2
|
8
|
11
|
189.53
|
4
|
|
|
Undec-1-en-5,7,9-triyne
|
142.20
|
3.2
|
0
|
0
|
0
|
4
|
|
|
2,3,4,6-Tetra-O-methyl-D-galactose
|
236.26
|
-1.3
|
1
|
6
|
74.22
|
9
|
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