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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(3S,4S,5S,9R,10S,13R,14R,17R)-4,10,13-trimethyl-17-[(2S)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
412.70
|
8.8
|
1
|
1
|
20.23
|
5
|
|
|
(1R,2E,6Z,10R)-7,11,11-trimethylbicyclo[8.1.0]undeca-2,6-diene-3-carbaldehyde
|
218.33
|
3.4
|
0
|
1
|
17.07
|
1
|
|
|
[(1R,2S,3R,4aR,5S,6R,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,6,7,8-hexahydro-2H-naphthalene-1,2'-oxirane]-2-yl] (E)-2-methylbut-2-enoate
|
548.60
|
2.8
|
1
|
10
|
130.12
|
9
|
|
|
(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-2-methyl-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]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
722.90
|
3
|
6
|
12
|
176.76
|
5
|
|
|
(2S,5S,9S,10R,11R,15R,18R)-9,10,15,18-tetrahydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one
|
364.40
|
0.1
|
4
|
6
|
107.22
|
0
|
|
|
(2S,3R,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
|
1297.40
|
-2.5
|
18
|
30
|
490.58
|
16
|
|
|
(3S,5R,8R,9R,10R,13R,14R,17S)-17-[(2S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
460.70
|
7.2
|
2
|
3
|
49.69
|
2
|
|
|
(3S,5S,6R,7R,8S,9R,10S,13R,14S,15R,17R)-17-[(2R)-5-[[(2R,3R,4R,5R)-3,4-dihydroxy-5-[(1R)-2-hydroxy-1-methoxyethyl]oxolan-2-yl]oxymethyl]-5-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,6,7,8,15-pentol
|
674.90
|
0.5
|
9
|
12
|
209.76
|
11
|
|
|
(3R)-5-[(1-methoxy-3-methylcarbazol-9-yl)methyl]-3-methyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole
|
540.70
|
9.6
|
1
|
2
|
39.18
|
6
|
|
|
(3R)-11-[(1-methoxy-9H-carbazol-3-yl)methyl]-3,5-dimethyl-3-(4-methylpent-3-enyl)pyrano[3,2-a]carbazole
|
540.70
|
9.6
|
1
|
2
|
39.18
|
6
|
|
|
[(1S,19R,20R,21S,22R)-6,7,8,11,12,13,20,22-octahydroxy-3,16-dioxo-2,17,23-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-4,6,8,10,12,14-hexaen-21-yl] 3,4,5-trihydroxybenzoate
|
634.50
|
0.1
|
11
|
18
|
310.66
|
3
|
|
|
14-Methyl-cholest-8(9)-en-3b-ol
|
400.70
|
8.5
|
1
|
1
|
20.23
|
5
|
|
|
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
|
462.40
|
0.2
|
7
|
11
|
190.28
|
4
|
|
|
[(1S,8R,9R,19R,21S,22R,23R)-7,7,8,12,13-pentahydroxy-3,6,16-trioxo-21,22-bis[(3,4,5-trihydroxybenzoyl)oxy]-2,17,20,24-tetraoxapentacyclo[17.3.1.18,11.04,9.010,15]tetracosa-4,10,12,14-tetraen-23-yl] 3,4,5-trihydroxybenzoate
|
954.70
|
-0.3
|
14
|
27
|
450.25
|
9
|
|
|
3-[[(2R,3S,4S,5R,6S)-6-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-2-[[(1S,2S,4S,5R,8R,9R,10S,13S,14R,17S,18R)-2-hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-6-methyloxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid
|
867.00
|
2.2
|
8
|
16
|
251.36
|
10
|
|
|
3-[[(2R,3S,4S,5R,6S)-6-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-2-[[(1S,2R,4S,5R,8R,9R,10S,13S,14R,17S,18R)-2-hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-6-methyloxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid
|
867.00
|
2.2
|
8
|
16
|
251.36
|
10
|
|
|
4-[(2Z)-2-sulfooxyimino-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylethyl]phenolate
|
424.40
|
0.1
|
5
|
12
|
222.85
|
7
|
|
|
(4aR,4bR,8S,8aR,10aR)-1,1,4a,6',7',8a-hexamethyl-7-methylidenespiro[3,4,4b,5,6,9,10,10a-octahydrophenanthrene-8,2'-3H-furo[3,2-c]pyran]-2,4'-dione
|
424.60
|
4.7
|
0
|
4
|
56.51
|
0
|
|
|
[(5R,6R,7S,8R,9R,10R,13R,17S)-7-acetyloxy-17-(furan-3-yl)-4,4,8,10,13-pentamethyl-3,16-dioxo-6,7,9,11,12,17-hexahydro-5H-cyclopenta[a]phenanthren-6-yl] acetate
|
508.60
|
4.4
|
0
|
7
|
99.88
|
5
|
|
|
Paulitin
|
276.28
|
1.1
|
0
|
5
|
65.13
|
0
|
|
|
(1S,3S,6S,10R,11S)-3,11-dimethyl-7-methylidene-2,9,12-trioxatetracyclo[9.4.0.01,3.06,10]pentadec-14-ene-8,13-dione
|
276.28
|
1.1
|
0
|
5
|
65.13
|
0
|
|
|
[(1S,2S,6R,7R,9R,10S,11S,12R,14S)-11-hydroxy-14-methyl-5-methylidene-4-oxospiro[3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradecane-9,2'-oxirane]-7-yl] (E)-2-methylbut-2-enoate
|
376.40
|
1
|
1
|
7
|
97.89
|
3
|
|
|
Teucrin G
|
390.40
|
0.1
|
2
|
8
|
118.73
|
1
|
|
|
(8R,13aS)-2,3,10-trimethoxy-8-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-11-ol
|
355.40
|
3.3
|
1
|
5
|
51.16
|
3
|
|
|
(1R,2S,3R,6S,7R,8S,13S,14R,15R,16S,17S)-3,7,15,16-tetrahydroxy-9,13,17-trimethyl-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-4,11-dione
|
394.40
|
-1.8
|
4
|
8
|
133.52
|
0
|
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