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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
1091.20
|
-0.8
|
14
|
23
|
374.13
|
13
|
|
|
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
1059.20
|
0.9
|
12
|
21
|
333.67
|
11
|
|
|
(22s,25r)-3beta,11alpha,16beta,22-Tetrahydroxycholest-5-en-26-yl beta-d-glucopyranoside
|
612.80
|
1.5
|
8
|
10
|
180.3
|
9
|
|
|
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2S)-4-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]butan-2-yl]oxyoxane-3,4,5-triol
|
390.50
|
-0.1
|
5
|
8
|
132.14
|
6
|
|
|
(1S,4S,7R,11R,12S)-14,16-dihydroxy-1,5,5-trimethyl-8-methylidene-12-phenyl-19-oxatetracyclo[9.8.0.04,7.013,18]nonadeca-13,15,17-triene-15,17-dicarbaldehyde
|
474.60
|
6.6
|
2
|
5
|
83.83
|
3
|
|
|
Kuguaglycoside C
|
616.80
|
4.8
|
5
|
8
|
136.68
|
8
|
|
|
(1R,4S,5S,8R,9R,12S,13S,16S)-8-[(E,2R)-6-methoxy-6-methylhept-4-en-2-yl]-5,9,17,17-tetramethyl-16-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-19-one
|
646.80
|
4.8
|
4
|
9
|
134.91
|
8
|
|
|
(2S,3R,4S,5S,6R)-2-[3-hydroxy-5-[(Z)-5-hydroxypent-2-enyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
356.40
|
-0.3
|
6
|
8
|
139.84
|
7
|
|
|
(E)-2-methyl-5-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)pent-3-ene-1,2-diol
|
236.35
|
2.4
|
2
|
2
|
40.46
|
4
|
|
|
(2R,5S,7R,9R,12R,15R,16R)-15-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-5-hydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-1(11)-en-10-one
|
426.60
|
5.9
|
1
|
3
|
49.83
|
4
|
|
|
2-hydroxy-N-[(6R,7R)-6-hydroxy-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
|
431.40
|
-0.6
|
3
|
8
|
123.55
|
6
|
|
|
N-[(6R,7R)-6-hydroxy-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]formamide
|
401.40
|
0.1
|
2
|
7
|
103.32
|
5
|
|
|
[(1R,2S,5R,6R,13S,14R,16S)-6-(furan-3-yl)-16-(2-methoxy-2-oxoethyl)-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-10-en-14-yl] (Z)-2-methylbut-2-enoate
|
552.70
|
4
|
0
|
8
|
109.11
|
7
|
|
|
methyl (2R)-2-acetyloxy-2-[(1R,2S,5R,6R,13S,16S)-6-(furan-3-yl)-1,5,15,15-tetramethyl-8,14,17-trioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-10-en-16-yl]acetate
|
526.60
|
2.6
|
0
|
9
|
126.18
|
6
|
|
|
(2R,4aS,4bS,7R,8aS)-2-ethenyl-7-hydroxy-2,4b,8,8-tetramethyl-4,4a,5,6,7,8a,9,10-octahydrophenanthren-3-one
|
302.50
|
3.9
|
1
|
2
|
37.3
|
1
|
|
|
3-[(3S,4S,5R,8R,9R,10R,13R,14R,15R)-4,9,10,13-tetramethyl-3-propan-2-yl-15-prop-1-en-2-yl-2,3,5,6,7,8,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-4-yl]propanoic acid
|
442.70
|
10
|
1
|
2
|
37.3
|
5
|
|
|
beta-Santalal
|
218.33
|
3.9
|
0
|
1
|
17.07
|
4
|
|
|
(3'S,4'S,9S,9aS)-4'-hydroxy-3'-methylspiro[2,5,6,7,8,9a-hexahydro-1H-pyrrolo[1,2-a]azepine-9,5'-oxolane]-2',3-dione
|
253.29
|
0.1
|
1
|
4
|
66.84
|
0
|
|
|
methyl (E)-3-[(1R,2S,4S,7R,8S)-1'-methoxy-2'-oxospiro[10-oxa-5-azatricyclo[5.3.1.04,8]undec-5-ene-2,3'-indole]-6-yl]but-2-enoate
|
396.40
|
1.3
|
0
|
6
|
77.43
|
4
|
|
|
methyl (E)-3-[(1R,2S,4S,7R,8S)-1',6'-dimethoxy-2'-oxospiro[10-oxa-5-azatricyclo[5.3.1.04,8]undec-5-ene-2,3'-indole]-6-yl]but-2-enoate
|
426.50
|
1.2
|
0
|
7
|
86.66
|
5
|
|
|
methyl (1R,4S,7S,14R,20R,21S,24E,26S,38S,39S)-24-ethylidene-39-methyl-11-oxido-3,22,27-triaza-11-azoniadodecacyclo[20.11.2.13,15.14,7.17,11.121,25.01,20.04,14.020,27.028,33.014,38.019,37]nonatriaconta-15(37),16,18,28,30,32-hexaene-26-carboxylate
|
630.80
|
4.8
|
0
|
6
|
59.08
|
2
|
|
|
methyl (1R,4S,7S,14R,20R,21S,24E,26S,38S,39S)-24-ethylidene-39-methyl-3,11,22,27-tetrazadodecacyclo[20.11.2.13,15.14,7.17,11.121,25.01,20.04,14.020,27.028,33.014,38.019,37]nonatriaconta-15(37),16,18,28,30,32-hexaene-26-carboxylate
|
614.80
|
5.4
|
0
|
6
|
39.26
|
2
|
|
|
1,2,9,10-Tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
|
355.40
|
3.4
|
0
|
5
|
40.16
|
4
|
|
|
(2R,3R,4R,5R,6S)-2-[[(2S,3R,4R,5S)-3,4-dihydroxy-5-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-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-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxyoxolan-2-yl]methoxy]-6-methyloxane-3,4,5-triol
|
1001.20
|
-0.2
|
10
|
20
|
294.6
|
10
|
|
|
(4R)-4-[(3R)-3-hydroxybutyl]-5,5-dimethyl-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]cyclohex-2-en-1-one
|
388.50
|
-0.9
|
5
|
8
|
136.68
|
7
|
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