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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(2R,4aS,6aS,6aR,6bS,8aS,9R,11S,12aS,14aS,14bR)-11-hydroxy-2,4a,6a,6a,8a,9,14a-heptamethyl-10-oxo-3,4,5,6,6b,7,8,9,11,12,12a,13,14,14b-tetradecahydro-1H-picene-2-carboxylic acid
|
472.70
|
7.6
|
2
|
4
|
74.6
|
1
|
|
|
(2R,3R,4S,5S,6R)-2-[(2R)-4-[(1R,2S,4S,6R,7S,8R,9S,12S,13S,15R,16R,18S)-16-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6,15-dihydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
937.10
|
-0.8
|
13
|
20
|
327.6
|
13
|
|
|
Terrestrosin K
|
1079.20
|
-2.9
|
14
|
24
|
383.36
|
16
|
|
|
(6aS,11aS)-1-methoxy-2,10-bis(3-methylbut-2-enyl)-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-3,6a,9-triol
|
438.50
|
5
|
3
|
6
|
88.38
|
5
|
|
|
(1R,12R)-7-(2-hydroxypropan-2-yl)-6,11,19-trioxapentacyclo[10.8.0.02,10.05,9.013,18]icosa-2(10),3,5(9),13(18),14,16-hexaen-16-ol
|
340.40
|
2.6
|
2
|
5
|
68.15
|
1
|
|
|
(2Z)-6-hydroxy-2-[(3-hydroxy-4-methoxyphenyl)methylidene]-4-methoxy-5-methyl-1-benzofuran-3-one
|
328.30
|
3.2
|
2
|
6
|
85.22
|
3
|
|
|
[(1R,4S,5S,6R)-5-benzoyloxy-4-hydroxy-8-oxo-2-oxabicyclo[2.2.2]octan-6-yl] benzoate
|
382.40
|
1.9
|
1
|
7
|
99.13
|
6
|
|
|
1,2,4a,5,6,8a-Hexahydro-1-isopropyl-4,7-dimethylnaphthalene
|
204.35
|
4.1
|
0
|
0
|
0
|
1
|
|
|
(2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R)-4-[(1R)-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]butan-2-yl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
|
548.60
|
-1
|
7
|
13
|
212.67
|
9
|
|
|
methyl (1S,4aS,6S,7R,7aS)-6-[(1S,4aS,7S,7aR)-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carbonyl]oxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
|
732.70
|
-1
|
8
|
18
|
269.82
|
11
|
|
|
methyl (1S,4aS,6S,7R,7aS)-6-[(2E)-6-hydroxy-2,6-dimethylocta-2,7-dienoyl]oxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
|
556.60
|
0.8
|
5
|
12
|
181.44
|
12
|
|
|
4-[[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4,6-trihydroxy-5-(2-methylpropanoyl)phenyl]methyl]-3,5-dihydroxy-6,6-dimethyl-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one
|
568.70
|
7.6
|
5
|
8
|
152.36
|
11
|
|
|
[(1R,2R,4S,7S,8S,11R,12R,18R)-7-(furan-3-yl)-1,8,12,17,17-pentamethyl-5,15,20-trioxo-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icosan-13-yl] 4-hydroxybenzoate
|
592.60
|
3.9
|
1
|
10
|
141.87
|
4
|
|
|
[(1R,2R,4S,7S,8S,11R,12R,18R)-7-(furan-3-yl)-1,8,12,17,17-pentamethyl-5,15,20-trioxo-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icosan-13-yl] 4-methoxybenzoate
|
606.70
|
4.2
|
0
|
10
|
130.87
|
5
|
|
|
(3R)-5-methoxy-3-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3H-benzo[f][2]benzofuran-1-one
|
406.40
|
0.8
|
4
|
9
|
134.91
|
4
|
|
|
(3I(2),16I(2),23R)-16,23:16,30-Diepoxy-20-hydroxydammar-24-en-3-yl O-6-deoxy-I+/--L-mannopyranosyl-(1a2)-O-[O-I(2)-D-xylopyranosyl-(1a2)-6-O-acetyl-I(2)-D-glucopyranosyl-(1a3)]-I+/--L-arabinopyranoside
|
1087.20
|
0.6
|
10
|
22
|
320.9
|
12
|
|
|
(2R,3R,4S,5R,6R)-2-[(2S,3R,4S,5S)-4-[(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-5-hydroxy-2-[[(1S,2R,5R,7S,10R,11R,14R,15S,16S,18R,20S)-16-hydroxy-2,6,6,10,16-pentamethyl-18-(2-methylprop-1-enyl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-7-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
1045.20
|
0.5
|
11
|
21
|
314.83
|
10
|
|
|
11alpha-Hydroxy-5alpha-androstane-3,17-dione
|
304.40
|
2.4
|
1
|
3
|
54.37
|
0
|
|
|
Cyanidin 3-O-beta-(3''-O-beta-D-glucosyl-glucoside)
|
611.50
|
|
11
|
15
|
270.75
|
7
|
|
|
(1S,3R,5S,7R,8S,9R,10S,12R,14R,15S,18R,19R,22S,23R)-8,9,10,22-tetrahydroxy-7,18-dimethyl-19-(5-oxo-2H-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosane-14-carbaldehyde
|
548.60
|
0
|
4
|
10
|
151.98
|
2
|
|
|
(1R,17S)-4-ethyl-7,17-dihydroxy-7,14-dimethyl-6-methylidene-2,9-dioxa-14-azoniatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
|
366.40
|
0
|
2
|
6
|
93.06
|
1
|
|
|
2-[(1R,3S)-2,2-dimethyl-3-(3-oxobutyl)cyclopropyl]cyclopent-2-en-1-one
|
220.31
|
1.8
|
0
|
2
|
34.14
|
4
|
|
|
(1S,2S,4S,5R,10R,11S,14S,15S,18S)-5-hydroxy-15-[(1R)-1-hydroxy-1-[5-(hydroxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-7-en-9-one
|
486.60
|
2.6
|
3
|
7
|
116.59
|
3
|
|
|
(1S,2S,4S,5R,10R,11S,14S,15S,18S)-15-[(1R)-1-[(4S)-4,5-dimethyl-6-oxooxan-2-yl]-1-hydroxyethyl]-5-hydroxy-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-7-en-9-one
|
472.60
|
3.8
|
2
|
6
|
96.36
|
2
|
|
|
2-[(1R)-1-[(5S,9S,10R,13R,14S,17S)-5,14-dihydroxy-10,13-dimethyl-1-oxo-4,6,9,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-1-hydroxyethyl]-4,5-dimethyl-2,3-dihydropyran-6-one
|
470.60
|
2
|
3
|
6
|
104.06
|
2
|
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