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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
3,5-Dihydroxy-6-methoxy-2-methylchromen-4-one
|
222.19
|
1.9
|
2
|
5
|
79.9
|
1
|
|
|
methyl (2S,3S,4S,5R,6R)-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-3,4-dihydroxy-6-[[(1R,4R,5R,8R,10S,13R,14R,17R,18S,19S,20S)-19-(2-hydroxypropan-2-yl)-4,5,9,9,13-pentamethyl-22-oxo-21-oxahexacyclo[18.2.1.01,18.04,17.05,14.08,13]tricosan-10-yl]oxy]oxane-2-carboxylate
|
957.10
|
2.4
|
9
|
19
|
290.05
|
10
|
|
|
methyl (2S,3S,4S,5R,6R)-3-hydroxy-6-[[(1R,4R,5R,8R,10S,13R,14R,17R,18S,19S,20S)-19-(2-hydroxypropan-2-yl)-4,5,9,9,13-pentamethyl-22-oxo-21-oxahexacyclo[18.2.1.01,18.04,17.05,14.08,13]tricosan-10-yl]oxy]-4,5-bis[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy]oxane-2-carboxylate
|
955.10
|
3.3
|
8
|
18
|
269.82
|
9
|
|
|
(2S,3S,4S,5R,6R)-3,4-dihydroxy-6-[[(1R,4R,5R,8R,10S,13R,14R,17R,18S,19S,20S)-19-(2-hydroxypropan-2-yl)-4,5,9,9,13-pentamethyl-22-oxo-21-oxahexacyclo[18.2.1.01,18.04,17.05,14.08,13]tricosan-10-yl]oxy]-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxane-2-carboxylic acid
|
795.00
|
4.1
|
7
|
14
|
221.9
|
6
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aR,10S,11S,12aS,14aR,14bR)-11-(acetyloxymethyl)-10-hydroxy-4,4,6a,6b,11,14b-hexamethyl-8a-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxane-2-carboxylic acid
|
999.10
|
1.7
|
10
|
20
|
318.12
|
11
|
|
|
(3S,5S)-1-(4-hydroxy-3-methoxyphenyl)tetradecane-3,5-diol
|
352.50
|
5.1
|
3
|
4
|
69.92
|
14
|
|
|
[(1R,2R,3S,4S,5S,7R,8R,9R,10R,11S,13S)-8-acetyloxy-2,7-dihydroxy-5,9,12,12-tetramethyl-17-oxapentacyclo[7.6.2.01,10.03,7.011,13]heptadecan-4-yl] hexanoate
|
492.60
|
4
|
2
|
7
|
102.29
|
8
|
|
|
Kaempferol 3-(2-feruloylsophoroside) 7-glucoside
|
948.80
|
-0.4
|
13
|
24
|
384.11
|
15
|
|
|
(1S,3S,4S,6R,8S,11S,12S,15R,16R)-15-[(E,2R)-6-hydroxy-6-methylhept-4-en-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-4,6-diol
|
458.70
|
6.8
|
3
|
3
|
60.69
|
4
|
|
|
(1S,3S,4R,8S,9R,11S,14S,15S,18R,19R)-6,6,10,10,15,19-hexamethyl-18-[(2R)-6-methylhept-5-en-2-yl]-5,7-dioxahexacyclo[12.7.0.01,3.03,11.04,8.015,19]henicosan-9-ol
|
498.80
|
9.2
|
1
|
3
|
38.69
|
4
|
|
|
(1S,8S,10S,11R)-10-methoxy-4,8,12-trimethyl-2,14-dioxatricyclo[9.2.1.01,5]tetradeca-4,12-diene-3,6-dione
|
292.33
|
1
|
0
|
5
|
61.83
|
1
|
|
|
(1S,3S,4S,6R,8S,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methylhept-5-en-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecane-4,6-diol
|
442.70
|
8.6
|
2
|
2
|
40.46
|
4
|
|
|
(6S,8S,9E,11aR)-11a-hydroxy-8-methoxy-3,6,10-trimethyl-6,7,8,11-tetrahydro-5H-cyclodeca[b]furan-2,4-dione
|
294.34
|
0.9
|
1
|
5
|
72.83
|
1
|
|
|
(3S)-5-acetyl-6-hydroxy-3,8-dimethyl-3,4-dihydro-2H-naphthalen-1-one
|
232.27
|
2.7
|
1
|
3
|
54.37
|
1
|
|
|
(1S,2S,4R,5R,6R,9S,10R,17R)-10-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-1,6-dimethyl-12-propan-2-yl-3,8,13-trioxapentacyclo[7.7.1.02,4.06,17.011,16]heptadeca-11,15-diene-7,14-dione
|
656.60
|
-3.4
|
7
|
16
|
247.57
|
6
|
|
|
(1S,2S,4R,5R,6R,9S,10R,17R)-5-hydroxy-1,6-dimethyl-12-propan-2-yl-10-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-3,8,13-trioxapentacyclo[7.7.1.02,4.06,17.011,16]heptadeca-11,15-diene-7,14-dione
|
494.50
|
-1.8
|
4
|
11
|
168.42
|
3
|
|
|
(1S,8R,9S,12S,15R,16R)-8-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-15-hydroxy-1,12-dimethyl-6-propan-2-yl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,6-diene-4,11-dione
|
612.60
|
-2.3
|
6
|
14
|
214.81
|
5
|
|
|
(1S,2S,4R,5R,6R,9S,10R,17R)-10-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-1,6-dimethyl-12-propan-2-yl-3,8,13-trioxapentacyclo[7.7.1.02,4.06,17.011,16]heptadeca-11,15-diene-7,14-dione
|
626.60
|
-3.3
|
6
|
15
|
227.34
|
5
|
|
|
(2R,3R,4S,5S,6R)-2-[[(2S,4aS,4bR,6S,8S,8aR)-2-[(1S)-1,2-dihydroxyethyl]-6-hydroxy-8-(hydroxymethyl)-4b,8-dimethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
516.60
|
-0.8
|
8
|
10
|
180.3
|
7
|
|
|
[(2R,3S,4S,5R,6S)-6-[(2R,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
|
636.60
|
-1.4
|
9
|
16
|
266.27
|
8
|
|
|
(4aR,6aS,12aS,12bR,12cS,14S)-14-hydroxy-15-methyl-4a,5,12,12a,12b,12c-hexahydro-11H-6a,4-(ethanoiminomethano)-1-oxa-10b-azacyclohepta[1,2,3-cd]fluoranthene-6,11(2H)-dione
|
380.40
|
-0.2
|
1
|
5
|
70.08
|
0
|
|
|
(1S,2S,3R,5S,6S,7R,14R,15S,18R,21S,22R)-5,7,18-trihydroxy-1,14,21-trimethyl-25-methylidene-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacosa-8,10-diene-13,19,24,27-tetrone
|
526.50
|
-0.1
|
3
|
10
|
156.66
|
0
|
|
|
(3R,4S)-4-[bis(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-methyl-tetrahydrofuran-2-one
|
414.40
|
3.6
|
0
|
8
|
81.68
|
5
|
|
|
7-Hydroxy-9-[hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]-3,11-diazatricyclo[6.5.1.04,14]tetradeca-1,4(14),5,7-tetraen-10-one
|
368.40
|
2
|
5
|
5
|
114.81
|
3
|
|
|
(+)-Samidin
|
386.40
|
3.4
|
0
|
7
|
92.04
|
5
|
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