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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
9,19-Cyclolanostan-28-ol, (4I(2))-
|
428.70
|
10.4
|
1
|
1
|
20.23
|
6
|
|
|
(1R,2S,8R,27R,39R)-1,2,14,15,16,19,20,21,29,35,36-undecahydroxy-2-(2-oxopropyl)-7,10,25,28,31,40-hexaoxaoctacyclo[35.2.1.05,39.08,27.09,30.012,17.018,23.033,38]tetraconta-4,12,14,16,18,20,22,33,35,37-decaene-3,6,11,24,32-pentone
|
840.60
|
-1
|
11
|
23
|
380.33
|
2
|
|
|
(4bR,5S,11bS)-1,2-dimethoxy-12-methyl-13-methylidene-4b,5,6,11b-tetrahydro-[1,3]benzodioxolo[5,6-c]phenanthridin-5-ol
|
381.40
|
3.1
|
1
|
6
|
60.39
|
2
|
|
|
[(1S,2R,3R,4S,5R,6S,8R,9S,10S,13S,16S,17R,18S)-4-acetyloxy-8,9-dihydroxy-6,16,18-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadec-11-en-13-yl]methyl 2-acetamidobenzoate
|
626.70
|
0.1
|
3
|
11
|
162.21
|
10
|
|
|
1-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,6,8-trihydroxy-7-[(E)-4-hydroxy-3-methylbut-2-enyl]-2-methoxyxanthen-9-one
|
494.60
|
6.9
|
4
|
7
|
120.36
|
9
|
|
|
(2R)-2-prop-1-en-2-yl-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione
|
240.25
|
3
|
0
|
3
|
43.37
|
1
|
|
|
(2R)-5-hydroxy-2-prop-1-en-2-yl-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione
|
256.25
|
3.2
|
1
|
4
|
63.6
|
1
|
|
|
Soyasaponin Bd
|
957.10
|
1.6
|
11
|
19
|
312.05
|
10
|
|
|
[(2S,3R,5R,9R,10R,13R,14S,17R)-17-[(2S,3R)-3,6-dihydroxy-6-methylheptan-2-yl]-2,14-dihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] dihydrogen phosphate
|
544.60
|
0.6
|
6
|
9
|
174.56
|
7
|
|
|
[(3S,3aR,4S,6S,9bS)-6-hydroxy-3,6,9-trimethyl-2-oxo-3,3a,4,5,8,9b-hexahydroazuleno[4,5-b]furan-4-yl] (E)-2-methylbut-2-enoate
|
346.40
|
1.8
|
1
|
5
|
72.83
|
3
|
|
|
(1R,2S,5S,6S,9R,12S,13R)-6,13-dimethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icosa-14,17-dien-16-one
|
311.50
|
3.8
|
1
|
2
|
29.1
|
0
|
|
|
(Z)-1-sulfosulfanylprop-1-ene
|
154.21
|
0.3
|
1
|
4
|
88.05
|
2
|
|
|
Anemarrhenasaponin I
|
758.90
|
2.6
|
9
|
14
|
228.22
|
9
|
|
|
(2S,3R,4S,5S,6R)-2-(((2R,3R,4S,5R,6R)-4,5-Dihydroxy-2-(((2aR,4S,5'S,6aS,6bS,8aS,8bR,9S,10R,11aR,12R,12aS,12bR)-12-hydroxy-5',6a,8a,9-tetramethyldocosahydrospiro[naphtho[2',1':4,5]indeno[2,1-b]furan-10,2'-pyran]-4-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyr
|
756.90
|
2.3
|
8
|
14
|
217.22
|
6
|
|
|
(2R,3R,4S,5S,6R)-2-[(2S)-4-[(1R,2S,4S,8S,9S,12S,13S,16S,18R)-16-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-9,13-dimethyl-7-methylidene-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
903.10
|
0.7
|
11
|
18
|
287.14
|
13
|
|
|
(1S)-1-[(2S,4aR,4bR,8aS,10S,10aS)-10-hydroxy-2,4a,8,8a-tetramethyl-3,4,4b,5,6,9,10,10a-octahydro-1H-phenanthren-2-yl]ethane-1,2-diol
|
322.50
|
3.2
|
3
|
3
|
60.69
|
2
|
|
|
(4aS,5R,8R,8aR)-8-(2-hydroxypropan-2-yl)-5-methyl-3,4,4a,5,6,7,8,8a-octahydronaphthalene-2-carbaldehyde
|
236.35
|
2.8
|
1
|
2
|
37.3
|
2
|
|
|
(4aS,5R,7R,8aR)-7-(2-hydroxypropan-2-yl)-5-methyl-3,4,4a,5,6,7,8,8a-octahydronaphthalene-2-carboxylic acid
|
252.35
|
2.7
|
2
|
3
|
57.53
|
2
|
|
|
[(1S,2S,4R,5S,6S,9S,10S,11R,13R,14S,15R,18S,20R)-6-(furan-3-yl)-4,11,15,18-tetrahydroxy-5,10,14-trimethyl-3,8-dioxo-16-oxapentacyclo[12.3.3.01,13.02,10.05,9]icosan-20-yl] acetate
|
532.60
|
-0.1
|
4
|
10
|
163.73
|
3
|
|
|
(1R,2S,5S,6S,9R,12S,13R)-6,13-dimethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icosa-17,19-dien-16-one
|
311.50
|
3.4
|
1
|
2
|
29.1
|
0
|
|
|
(1R,2S,5S,6S,9S,10S,12S,13R)-16-(dimethylamino)-6,7,13-trimethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-10-ol
|
372.60
|
3.7
|
1
|
3
|
26.71
|
1
|
|
|
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6R)-2-[[(1R,2S,3S,4R,7S,8R,9S,12S,13S,16S,18R)-3,6-dihydroxy-7,9,13-trimethyl-6-(3-methylbutyl)-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-16-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
758.90
|
2.6
|
9
|
14
|
228.22
|
9
|
|
|
(4aR,5R,8R,8aS)-5-(2-hydroxypropan-2-yl)-3,8-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-naphthalen-2-one
|
236.35
|
2.6
|
1
|
2
|
37.3
|
1
|
|
|
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,2S,4aS,6aR,6aS,6bR,8aR,9S,10R,11R,12aR,14bS)-9-formyl-1,10,11-trihydroxy-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
664.80
|
2.3
|
7
|
11
|
194.21
|
5
|
|
|
(2R,3R,4S,5S,6R)-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-(hydroxymethyl)oxane-3,4,5-triol
|
634.80
|
3.6
|
6
|
9
|
149.07
|
4
|
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