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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(2R)-2-amino-3-ethylsulfinylpropanoic acid
|
165.21
|
-4
|
2
|
5
|
99.6
|
4
|
|
|
4-Butylquinoline
|
185.26
|
4.1
|
0
|
1
|
12.89
|
3
|
|
|
8-Hydroxy-7-methoxycoumarin
|
192.17
|
1.5
|
1
|
4
|
59.67
|
1
|
|
|
5,9,14-Trimethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-5-carboxylic acid
|
302.50
|
5.4
|
1
|
2
|
37.3
|
1
|
|
|
13-Methylpentadecanoic acid
|
256.42
|
6.1
|
1
|
2
|
37.3
|
13
|
|
|
Quinoline, 3-propyl-
|
171.24
|
3.5
|
0
|
1
|
12.89
|
2
|
|
|
(2R,3R)-2-[(3,4-dimethoxyphenyl)methyl]-3-[(3,4,5-trimethoxyphenyl)methyl]butane-1,4-diol
|
420.50
|
3.1
|
2
|
7
|
86.61
|
12
|
|
|
2-Hydroxy-6-(12-phenyldodecyl)benzoic acid
|
382.50
|
9.3
|
2
|
3
|
57.53
|
14
|
|
|
3-(12-Phenyldodecyl)phenol
|
338.50
|
9.2
|
1
|
1
|
20.23
|
13
|
|
|
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[(E)-hex-2-enoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
424.40
|
-1.8
|
7
|
11
|
178.53
|
9
|
|
|
(2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-hexoxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
426.50
|
-1.9
|
7
|
11
|
178.53
|
10
|
|
|
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-hexoxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
426.50
|
-1.3
|
7
|
11
|
178.53
|
10
|
|
|
Lobetyolin
|
396.40
|
-0.6
|
6
|
8
|
139.84
|
9
|
|
|
(3S)-5-[(E)-3-[2-[(E)-3-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enyl]-3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoxy]-3-methyl-5-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoic acid
|
1033.00
|
-2.2
|
13
|
26
|
398.66
|
24
|
|
|
Oroxylin A-7-o-beta-D-glucuronide
|
460.40
|
1.4
|
5
|
11
|
176.12
|
5
|
|
|
Oroxylin A glucoronide
|
460.40
|
1.4
|
5
|
11
|
176.12
|
5
|
|
|
Cyanidin 3-(6-caffeoylglucoside) 5-glucoside
|
773.70
|
|
12
|
18
|
317.28
|
11
|
|
|
10-Hydroxysanguinarine
|
348.30
|
4.1
|
1
|
5
|
61.03
|
0
|
|
|
(1S,2S,4S,6R,7S,8R,9S,12S)-5',7,9,17-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-13,15,17-triene-6,2'-oxane]
|
394.60
|
6.9
|
0
|
2
|
18.46
|
0
|
|
|
Arnicolide B
|
348.40
|
2.4
|
0
|
5
|
69.67
|
4
|
|
|
Arnicolide C
|
334.40
|
2.1
|
0
|
5
|
69.67
|
3
|
|
|
Dehydro-Gamma-Tocopherol
|
414.70
|
10.3
|
1
|
2
|
29.46
|
12
|
|
|
(1S,2R,5R,6R,9R)-2,6,10,10-tetramethyltricyclo[7.2.0.02,5]undecan-6-ol
|
222.37
|
3.9
|
1
|
1
|
20.23
|
0
|
|
|
[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 1,10,11-trihydroxy-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
|
666.80
|
2.7
|
8
|
11
|
197.37
|
5
|
|
|
arjunglucoside I
|
666.80
|
2.7
|
8
|
11
|
197.37
|
5
|
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