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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Pandamarilactam 3x
|
235.28
|
1.3
|
0
|
3
|
46.61
|
4
|
|
|
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6-[2-O-[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-I(2)-D-glucopyranosyl]-I(2)-D-glucopyranosyl]-4H-1-benzopyran-4-one
|
756.70
|
0
|
11
|
18
|
306.73
|
10
|
|
|
Isovitexin 2''-(6'''-(E)-p-coumaroylglucoside)
|
740.70
|
0.4
|
10
|
17
|
286.5
|
10
|
|
|
5,7-Dihydroxy-6-[2-O-[6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]-I(2)-D-glucopyranosyl]-I(2)-D-glucopyranosyl]-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
|
770.70
|
0.3
|
10
|
18
|
295.73
|
11
|
|
|
[(1R,2R,3R,4aR,5R,8S,8aR)-5-[(3aS,5S,6aS)-3a,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]-8-acetyloxy-8a-(acetyloxymethyl)-3-hydroxy-5,6-dimethylspiro[3,4,4a,8-tetrahydro-2H-naphthalene-1,2'-oxirane]-2-yl] 2-acetyloxy-2-methylpropanoate
|
592.60
|
1.4
|
1
|
12
|
156.42
|
11
|
|
|
5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
|
626.50
|
-1.6
|
11
|
17
|
289.66
|
6
|
|
|
2-[3,4-dihydroxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]-3,5,7-trihydroxychromen-4-one
|
450.30
|
0.1
|
8
|
12
|
210.51
|
3
|
|
|
(1S,8S,9R,16S)-9-[5-[(E)-2-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-4-yl]ethenyl]-2-hydroxyphenyl]-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaene-4,6,12-triol
|
904.90
|
10.5
|
10
|
12
|
224.67
|
7
|
|
|
5-[(2S,3S)-4-[(2R,3R)-5-[(E)-2-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-4-yl]ethenyl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol
|
904.90
|
10.7
|
9
|
12
|
213.67
|
8
|
|
|
(1S,4aS,4bR,7R,10aR)-7-ethenyl-1-(hydroxymethyl)-1,4a,7-trimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-9-one
|
302.50
|
4.7
|
1
|
2
|
37.3
|
2
|
|
|
(1S,3R,11S)-8,9-dimethoxy-15,15-dimethyl-4,14-dioxo-7-propan-2-yl-2-oxatetracyclo[9.4.0.01,3.05,10]pentadeca-5,7,9,12-tetraene-11-carbaldehyde
|
384.40
|
2.3
|
0
|
6
|
82.2
|
4
|
|
|
(1R,9S,10S)-3,4-dimethoxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6,13-tetraene-8,12,15-trione
|
384.40
|
3.2
|
0
|
6
|
78.9
|
3
|
|
|
[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[[(4bR,8aR,10S)-10-acetyloxy-4b-(acetyloxymethyl)-4-hydroxy-8,8-dimethyl-7-oxo-2-propan-2-yl-6,8a,9,10-tetrahydro-5H-phenanthren-3-yl]oxy]oxan-2-yl]methyl acetate
|
762.80
|
3.1
|
1
|
16
|
213.56
|
17
|
|
|
15-Hydroxy-14-methoxy-7,7-dimethyl-13-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,9,11,13-hexaene-2,6-dione
|
338.40
|
4.5
|
1
|
4
|
63.6
|
2
|
|
|
[(1S,2S,3R,4R,6S,8S,9R,10R,13R,14R,16R)-2,3,4,6,9,14-hexahydroxy-5,5,9,14-tetramethyl-16-tetracyclo[11.2.1.01,10.04,8]hexadecanyl] propanoate
|
442.50
|
0.3
|
6
|
8
|
147.68
|
3
|
|
|
methyl (4aS,6aR,6aS,6bR,8aR,10R,11R,12aS,14bS)-10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-4a-carboxylate
|
500.70
|
5.8
|
2
|
5
|
83.83
|
2
|
|
|
methyl (4aS,6aR,6bS,8aR,10S,12aS,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,14b-dodecahydropicene-4a-carboxylate
|
468.70
|
7.5
|
1
|
3
|
46.53
|
2
|
|
|
methyl (4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-10-hydroxy-11-methoxy-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
|
500.80
|
7.4
|
1
|
4
|
55.76
|
3
|
|
|
Dihydroisocycloartomunin
|
450.50
|
5.8
|
3
|
7
|
109.36
|
4
|
|
|
2,3,4,5-tetramethoxy-6-[(E)-3-phenylprop-1-enyl]phenol
|
330.40
|
4
|
1
|
5
|
57.15
|
7
|
|
|
Card-20(22)-enolide, 3-[(2,6-dideoxy-I(2)-D-xylo-hexopyranosyl)oxy]-14-hydroxy-, (3I(2),5I(2))-
|
504.70
|
2.5
|
3
|
7
|
105.45
|
3
|
|
|
[(2R,3R,4S)-4-[bis(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2-hydroxyoxolan-3-yl]methyl acetate
|
474.50
|
2.7
|
1
|
10
|
111.14
|
8
|
|
|
(2R,3S,4S,5R,6S)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(4-hydroxyphenoxy)oxane-3,4,5-triol
|
404.40
|
-2.4
|
7
|
11
|
178.53
|
6
|
|
|
4H-1-Benzopyran-4-one, 7-[(4-O-I(2)-D-glucopyranosyl-I(2)-D-glucopyranosyl)oxy]-5-hydroxy-3-[[2-O-[2-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]-I(2)-D-glucopyranosyl]-I(2)-D-glucopyranosyl]oxy]-2-(4-hydroxyphenyl)-
|
1141.00
|
-2.6
|
16
|
30
|
472.49
|
19
|
|
|
4H-1-Benzopyran-4-one, 7-[(4-O-I(2)-D-glucopyranosyl-I(2)-D-glucopyranosyl)oxy]-5-hydroxy-3-[[2-O-[2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-I(2)-D-glucopyranosyl]-I(2)-D-glucopyranosyl]oxy]-2-(4-hydroxyphenyl)-
|
1111.00
|
-2.6
|
16
|
29
|
463.26
|
18
|
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