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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[9-hydroxy-6-(3-hydroxy-4-methoxyphenyl)-8-oxo-[1,3]dioxolo[4,5-g]chromen-7-yl]oxy]oxane-2-carboxylic acid
|
520.40
|
1.1
|
6
|
14
|
214.81
|
5
|
|
|
[(2R,4aS,6aS,8aR,10R,12aS,14aS,14bR)-10-acetyloxy-2,4a,6a,9,9,12a,14a-heptamethyl-1,3,4,5,6,8,8a,10,11,12,14,14b-dodecahydropicen-2-yl]methyl acetate
|
524.80
|
8.1
|
0
|
4
|
52.6
|
5
|
|
|
3-O-deacetylorthosiphol U
|
572.60
|
3.1
|
3
|
10
|
156.66
|
8
|
|
|
Corossoline
|
580.90
|
9.9
|
3
|
6
|
96.22
|
26
|
|
|
2-[(1S,2S,4S,7R,8R,9S,10S,12S,13S,16R)-4,7,8,10,13-pentaacetyloxy-12-hydroxy-5,9-dimethyl-15-oxatetracyclo[7.6.1.02,6.013,16]hexadec-5-en-2-yl]propan-2-yl benzoate
|
714.80
|
1.9
|
1
|
14
|
187.26
|
14
|
|
|
[(1R,2S,3S,4S,5R,6R,7R,8S,9S)-3,4-diacetyloxy-7,8-dibenzoyloxy-2-hydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-5-yl] pyridine-3-carboxylate
|
715.70
|
4.4
|
1
|
13
|
173.85
|
13
|
|
|
7-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
|
742.60
|
-2.6
|
12
|
20
|
328.35
|
10
|
|
|
Bacopaside V
|
767.00
|
3
|
7
|
13
|
196.99
|
6
|
|
|
1-O-Caffeoyl-3-O-galloyl-4,6-(S)-hexahydroxydiphen
|
796.60
|
2
|
12
|
21
|
357.19
|
7
|
|
|
[(2S,3R,4S,5R)-2-[(2S,3R,4S,5S)-3-acetyloxy-2-[[(3S,8R,9S,10R,13S,14S,16S,17S)-3-[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-17-hydroxy-10,13-dimethyl-17-[(2S)-6-methyl-3-oxoheptan-2-yl]-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-16-yl]oxy]-5-hydroxyoxan-4-yl]oxy-4,5-dihydroxyoxan-3-yl] 4-hydroxy-3-methoxybenzoate
|
1375.50
|
-1.9
|
15
|
31
|
474.65
|
24
|
|
|
(3S,3'R,4S,5R,5'S,10S,13S,14S,17S)-3-[(2R,3R,4S,5S,6R)-6-[[(2S,3R,4S,5S)-3-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-(hydroxymethyl)-3',4,10,13,14-pentamethyl-5'-propanoylspiro[2,3,5,6,7,11,12,16-octahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-15-one
|
1399.50
|
-6.3
|
18
|
33
|
518.27
|
19
|
|
|
Qtqtwoleyzgysq-qlsgohfrsa-
|
1457.30
|
-0.4
|
14
|
35
|
516.25
|
32
|
|
|
(3R)-3-methyl(413C)butanoic acid
|
103.12
|
1.2
|
1
|
2
|
37.3
|
2
|
|
|
(2R,3S)-2-(hydroxymethyl)pyrrolidin-3-ol
|
117.15
|
-0.8
|
3
|
3
|
52.49
|
1
|
|
|
(1R,2S,5S)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
|
127.14
|
-2.4
|
2
|
3
|
49.33
|
1
|
|
|
(2S,3S,4S,5S)-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol
|
163.17
|
-1.8
|
5
|
5
|
92.95
|
2
|
|
|
(2E,6E)-2,6-dimethylocta-2,6-dienedial
|
166.22
|
1.7
|
0
|
2
|
34.14
|
5
|
|
|
(4S,4aR)-4,7-dimethyl-4,4a,5,6-tetrahydro-3H-cyclopenta[c]pyran-1-one
|
166.22
|
1.8
|
0
|
2
|
26.3
|
0
|
|
|
Norpandamarilactonine B
|
167.20
|
0.8
|
1
|
3
|
38.33
|
1
|
|
|
(2s,4r)-4-Hydroxy-4-methyl-glutamic acid
|
177.16
|
-3.9
|
4
|
6
|
120.85
|
4
|
|
|
N-Methylphthalimide
|
161.16
|
1.3
|
0
|
2
|
37.38
|
0
|
|
|
1-Methylpentyl acetate
|
144.21
|
2.3
|
0
|
2
|
26.3
|
5
|
|
|
3-Phenyl-1-(pyrrol-1-yl)propan-1-one
|
199.25
|
2.4
|
0
|
1
|
22
|
3
|
|
|
(1S,2S,4R)-4-[(2S)-1,2-dihydroxypropan-2-yl]-1-methylcyclohexane-1,2-diol
|
204.26
|
-0.8
|
4
|
4
|
80.92
|
2
|
|
|
Palustrol
|
222.37
|
3.9
|
1
|
1
|
20.23
|
0
|
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