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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Escin IIA
|
1101.20
|
0.7
|
12
|
23
|
367.81
|
15
|
|
|
[(2S,3R,4S,5R,6S)-4,5-dihydroxy-6-[(2S,3R,4R,5R,6S)-4-hydroxy-2-methyl-5-octanoyloxy-6-[[(1R,3S,5S,6R,7R,8R,20S,22R,24R,25S,26S)-7,25,26-trihydroxy-24-(hydroxymethyl)-5-methyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy]oxan-3-yl]oxy-2-methyloxan-3-yl] octanoate
|
1107.40
|
8.3
|
7
|
21
|
294.35
|
25
|
|
|
[(2S,3S,4R,5R)-2-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-3,4-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-4-hydroxy-2-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]-5-(hydroxymethyl)oxolan-3-yl] benzoate
|
1165.10
|
-0.8
|
12
|
29
|
431.03
|
26
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,8R,8aR,9S,12aS,14aR,14bR)-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-9-[(E)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
|
1205.30
|
0.3
|
15
|
26
|
420.66
|
16
|
|
|
(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5R,6R)-2-[(2S,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6R)-6-[(1R,2S,4S,5'R,6R,7S,8S,9S,12S,13R,15R,16R)-8,15-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
1227.30
|
-5
|
17
|
29
|
454.67
|
14
|
|
|
Effusol
|
252.31
|
4.3
|
2
|
2
|
40.46
|
1
|
|
|
Enterolosaponin B
|
1540.70
|
-0.9
|
17
|
32
|
506.91
|
21
|
|
|
(3S,5S)-piperidine-3,4,5-triol
|
133.15
|
-2.3
|
4
|
4
|
72.72
|
0
|
|
|
3-But-3-enyloxolan-2-one
|
140.18
|
1.7
|
0
|
2
|
26.3
|
3
|
|
|
methyl (1R,2R,4S)-4-[(2S,4S,5R,6R)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
|
569.60
|
3.1
|
4
|
11
|
163.06
|
6
|
|
|
cis-Pulegol
|
154.25
|
2.4
|
1
|
1
|
20.23
|
0
|
|
|
(2S)-2-amino-1-((1,2,3,4,5,6-14C6)cyclohexatrienyl)propan-1-ol
|
163.16
|
0.8
|
2
|
2
|
46.25
|
2
|
|
|
Hyacinthacine A1
|
173.21
|
-0.7
|
3
|
4
|
63.93
|
1
|
|
|
Methyl Deca-4,6-diynoate
|
178.23
|
2.5
|
0
|
2
|
26.3
|
5
|
|
|
(1R,2S,3R,4S,5R,6R)-8-azabicyclo[3.2.1]octane-1,2,3,4,6-pentol
|
191.18
|
-3.4
|
6
|
6
|
113.18
|
0
|
|
|
Paeonilactone A
|
198.22
|
0.2
|
1
|
4
|
63.6
|
0
|
|
|
1alpha,7alpha,10alphaH-Guaia-4,11-dien-3-one
|
218.33
|
3.7
|
0
|
1
|
17.07
|
1
|
|
|
Propyl 3-(3,4-Dihydroxyphenyl)Acrylate
|
222.24
|
3.2
|
2
|
4
|
66.76
|
5
|
|
|
Oxyphyllenodiol A
|
238.32
|
0.7
|
2
|
3
|
57.53
|
1
|
|
|
cyperusol A1
|
250.33
|
0.8
|
2
|
3
|
57.53
|
1
|
|
|
(E)-Benzyl 3-(4-hydroxyphenyl)acrylate
|
254.28
|
3.3
|
1
|
3
|
46.53
|
5
|
|
|
Radicamine A
|
255.27
|
-0.6
|
5
|
6
|
102.18
|
3
|
|
|
Hydroxy-alpha-sanshool
|
263.37
|
2.8
|
2
|
2
|
49.33
|
8
|
|
|
Asparenydiol
|
266.29
|
3.7
|
2
|
3
|
49.69
|
4
|
|
|
5beta-Hydroxyilicic acid
|
268.35
|
1.7
|
3
|
4
|
77.76
|
2
|
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