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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(3S,4R,5S)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[4-(2-hydroxyethyl)phenoxy]-6-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl 2-methylbutanoate
|
516.50
|
-0.5
|
6
|
12
|
184.6
|
12
|
|
|
(1R,3aR,5E,9R,12aS)-1-(2-hydroxypropan-2-yl)-3a,6-dimethyl-10-methylidene-1,2,3,4,7,8,9,11,12,12a-decahydrocyclopenta[11]annulen-9-ol
|
306.50
|
3.8
|
2
|
2
|
40.46
|
1
|
|
|
(1R,3aR,5R,9E,12aS)-1-(2-hydroxypropan-2-yl)-3a,10-dimethyl-6-methylidene-1,2,3,4,5,7,8,11,12,12a-decahydrocyclopenta[11]annulen-5-ol
|
306.50
|
3.8
|
2
|
2
|
40.46
|
1
|
|
|
5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxychromen-4-one
|
596.50
|
-1.6
|
10
|
16
|
269.43
|
6
|
|
|
[(2R)-3-hexadecanoyloxy-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropyl] (Z)-octadec-9-enoate
|
855.40
|
20.9
|
0
|
6
|
78.9
|
50
|
|
|
5-[(3S,3aR,6R,6aR)-6-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenol
|
356.40
|
2.5
|
1
|
6
|
66.38
|
3
|
|
|
(2R,3R,4S,5S,6R)-2-[[(1E,2S,5S,7S,10S,11E,14R,15S)-14-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-2,15-dimethyl-5-tricyclo[8.7.0.02,7]heptadeca-1(17),11-dienyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
576.80
|
7.7
|
4
|
6
|
99.38
|
9
|
|
|
(1E,2S,5S,7S,10S,11E,14R,15S)-14-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-2,15-dimethyltricyclo[8.7.0.02,7]heptadeca-1(17),11-dien-5-ol
|
414.70
|
9.3
|
1
|
1
|
20.23
|
6
|
|
|
[(3aR,4R,5R,9aR,9bS)-4-acetyloxy-9a-hydroxy-6,9-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,9b-tetrahydroazuleno[4,5-b]furan-5-yl] (Z)-2-methylbut-2-enoate
|
416.40
|
0.7
|
1
|
8
|
116.2
|
5
|
|
|
(2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[(1R,2S,4S,5'S,6R,7S,8R,9S,12S,13S,16S,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
871.10
|
2.2
|
8
|
16
|
235.68
|
7
|
|
|
Timosaponin C
|
903.10
|
0.9
|
11
|
18
|
287.14
|
13
|
|
|
(2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[(1R,2S,4S,5'S,6R,7S,8S,9S,12S,13S,16S,18R)-8-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
887.10
|
0.9
|
9
|
17
|
255.91
|
7
|
|
|
(Z)-4-[(1S,2S,13S,15R)-6,8-dihydroxy-17,17-dimethyl-5,7-bis(3-methylbut-2-enyl)-10,14-dioxo-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4,6,8,11-tetraen-15-yl]-2-methylbut-2-enoic acid
|
562.60
|
6
|
3
|
8
|
130.36
|
7
|
|
|
Isogambogenic acid
|
630.80
|
7.9
|
3
|
8
|
130.36
|
10
|
|
|
(1S,2S,13S,15R)-6,8-dihydroxy-17,17-dimethyl-5,7,15-tris(3-methylbut-2-enyl)-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4,6,8,11-tetraene-10,14-dione
|
532.70
|
7.3
|
2
|
6
|
93.06
|
6
|
|
|
(E)-4-[(1S,2S,17S,19R)-12-hydroxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoic acid
|
560.60
|
5.4
|
2
|
8
|
119.36
|
5
|
|
|
(1S,2S,17S,19R)-12-hydroxy-19-[(E)-4-hydroxy-3-methylbut-2-enyl]-8,8,21,21-tetramethyl-5-(3-methylbut-2-enyl)-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaene-14,18-dione
|
546.60
|
5.4
|
2
|
7
|
102.29
|
5
|
|
|
(3R)-3-hydroxy-2,2,10-trimethyl-9-(3-methylbut-2-enoxy)-3,4-dihydropyrano[2,3-b]quinolin-5-one
|
343.40
|
3.4
|
1
|
5
|
60.69
|
3
|
|
|
[(2S,3S,4R)-2,3,4-trihydroxyicosyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
522.70
|
8.3
|
4
|
7
|
116.45
|
23
|
|
|
6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
|
564.50
|
-1.3
|
9
|
14
|
239.97
|
5
|
|
|
[(4S,7S,8S,11S)-2-oxo-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[5.3.1.04,11]undeca-1(10),5-dien-6-yl]methyl benzoate
|
476.40
|
-0.8
|
4
|
11
|
161.21
|
7
|
|
|
6-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]-5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
726.60
|
-3.1
|
12
|
19
|
319.12
|
8
|
|
|
[(2R,3S,4S,5R,6S)-6-[6-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
872.80
|
-1.4
|
12
|
21
|
345.42
|
12
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-8,9,10-trihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
|
991.10
|
-0.4
|
14
|
21
|
355.67
|
10
|
|
|
(3S,3'R,6R,9S,9aS)-6-hydroxy-3'-methyl-3-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]spiro[1,2,3,5,6,7,8,9a-octahydropyrrolo[1,2-a]azepine-9,5'-oxolane]-2'-one
|
337.40
|
1.8
|
1
|
6
|
76.07
|
1
|
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