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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(E)-1-[(2S,4R)-5-hydroxy-4-[(2S)-2-hydroxy-4-(4-hydroxyphenyl)butyl]-2-(4-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-6-yl]-3-(4-hydroxyphenyl)prop-2-en-1-one
|
582.60
|
6.5
|
5
|
8
|
136.68
|
10
|
|
|
[4-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4S)-4-[(3,4-dimethoxybenzoyl)oxymethyl]-3,4-dihydroxyoxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3-methoxyphenyl]methyl 3,4-dimethoxybenzoate
|
776.70
|
0.9
|
5
|
18
|
236.82
|
18
|
|
|
Chuanliansu
|
574.60
|
0.7
|
3
|
11
|
165.26
|
5
|
|
|
Kalopanaxsaponin H
|
913.10
|
2
|
10
|
17
|
274.75
|
9
|
|
|
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,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-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
913.10
|
2.6
|
10
|
17
|
274.75
|
9
|
|
|
Gymnoside VII
|
1061.00
|
0.6
|
10
|
24
|
362.88
|
26
|
|
|
Murucoidin I
|
1069.20
|
2.5
|
9
|
23
|
326.97
|
14
|
|
|
11,19-Dideoxyfistularin 3
|
1082.00
|
3.9
|
4
|
11
|
169.53
|
12
|
|
|
[(1R,2R,4S,5R,8R,10S,13R,14R,17S,18R,22S,23S)-10-[(2S,3R,4S,5S)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,23-dihydroxy-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosan-22-yl] hexanoate
|
1177.40
|
1.3
|
13
|
24
|
372.36
|
16
|
|
|
Gastrodin
|
286.28
|
-0.8
|
5
|
7
|
119.61
|
4
|
|
|
(2e,6e,8e)-n-(2-Methylpropyl)-2,6,8-decatrienamide
|
221.34
|
3.6
|
1
|
1
|
29.1
|
7
|
|
|
2-Methoxy-9,10-dihydrophenanthrene-4,5-diol
|
242.27
|
3.1
|
2
|
3
|
49.69
|
1
|
|
|
3-Methylhexane
|
100.20
|
3.7
|
0
|
0
|
0
|
3
|
|
|
(e)-2-methyl-2-butene-1,4-diol 4-O-beta-d-glucopyranoside
|
264.27
|
-1.9
|
5
|
7
|
119.61
|
5
|
|
|
Phoyunbene C
|
272.29
|
3.4
|
2
|
4
|
58.92
|
4
|
|
|
Grandiuvarone A
|
302.28
|
1.3
|
0
|
6
|
78.9
|
6
|
|
|
Parietinic acid
|
314.25
|
2.2
|
3
|
7
|
121.13
|
2
|
|
|
(4Z,4aS,7E,11aR)-4-[(E)-4-hydroxy-4-methylpent-2-enylidene]-7-methyl-11-methylidene-4a,5,6,9,10,11a-hexahydro-1H-cyclonona[c]pyran-3-one
|
316.40
|
3.2
|
1
|
3
|
46.53
|
2
|
|
|
3-Methyl-1-pentanol
|
102.17
|
1.8
|
1
|
1
|
20.23
|
3
|
|
|
CID 11508313
|
336.50
|
3.1
|
1
|
4
|
55.76
|
0
|
|
|
Psoralenoside
|
366.30
|
0.1
|
5
|
9
|
149.82
|
5
|
|
|
Enterodiol
|
302.40
|
2.6
|
4
|
4
|
80.92
|
7
|
|
|
Isofraxoside
|
370.31
|
-0.6
|
5
|
10
|
159.05
|
4
|
|
|
3-Hexanone
|
100.16
|
1.2
|
0
|
1
|
17.07
|
3
|
|
|
(2S,3S)-2-(5-Methoxy-3,4-methylenedioxybenzyl)-3-(3,4-methylenedioxybenzyl) butyrolactone
|
384.40
|
3.6
|
0
|
7
|
72.45
|
5
|
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