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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(2R,3R,4S,5S,6R)-2-[4-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
515.50
|
-1.5
|
8
|
14
|
224.93
|
10
|
|
|
(1R,2R,4S,5S,8S,9S,10R,11S,12R,13S)-4,5,12,13-tetrahydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid
|
380.40
|
-1.7
|
5
|
8
|
144.52
|
1
|
|
|
methyl (4S,5E,6S)-5-ethylidene-4-[2-oxo-2-[2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethoxy]ethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
|
686.70
|
-1.9
|
8
|
17
|
260.59
|
14
|
|
|
methyl (4S,5E,6S)-5-ethylidene-4-[2-[4-(2-hydroxyethyl)phenoxy]-2-oxoethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
|
524.50
|
-0.6
|
5
|
12
|
181.44
|
11
|
|
|
(6R)-6-[(1S,3R,6S,8R,11S,12S,15R,16R)-6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-2-methylhept-2-en-4-one
|
440.70
|
8.4
|
1
|
2
|
37.3
|
4
|
|
|
9,16-Cyclolanost-24-en-21-oic acid, 3-hydroxy-, (3I(2))-
|
456.70
|
8.3
|
2
|
3
|
57.53
|
5
|
|
|
Chamaecydin
|
448.60
|
6.4
|
1
|
3
|
54.37
|
2
|
|
|
(1'R,4R,5'S,6aS,10aS)-1-hydroxy-7,7,10a-trimethyl-1',3-di(propan-2-yl)spiro[6a,8,9,10-tetrahydro-6H-acephenanthrylene-4,4'-bicyclo[3.1.0]hexane]-2,5-dione
|
448.60
|
6.4
|
1
|
3
|
54.37
|
2
|
|
|
(1'R,4S,5'S,6R,6aS,10aS)-1,6-dihydroxy-7,7,10a-trimethyl-1',3-di(propan-2-yl)spiro[6a,8,9,10-tetrahydro-6H-acephenanthrylene-4,4'-bicyclo[3.1.0]hexane]-2,5-dione
|
464.60
|
5.3
|
2
|
4
|
74.6
|
2
|
|
|
(1'R,4S,5R,5'S,6aS,10aS)-1,5-dihydroxy-7,7,10a-trimethyl-1',3-di(propan-2-yl)spiro[5,6,6a,8,9,10-hexahydroacephenanthrylene-4,4'-bicyclo[3.1.0]hexane]-2-one
|
450.70
|
5.9
|
2
|
3
|
57.53
|
2
|
|
|
(1'R,4S,5S,5'S,6aS,10aS)-1,5-dihydroxy-7,7,10a-trimethyl-1',3-di(propan-2-yl)spiro[5,6,6a,8,9,10-hexahydroacephenanthrylene-4,4'-bicyclo[3.1.0]hexane]-2-one
|
450.70
|
5.9
|
2
|
3
|
57.53
|
2
|
|
|
(1R,4R,5R,6S,7R,8R,11R,13S,16S,17S,18S,19R)-4,5,7,8,16,17-hexahydroxy-6,14,18-trimethyl-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-9-one
|
412.40
|
-2.3
|
6
|
9
|
156.91
|
0
|
|
|
Eurycomanol 2-O-beta-D-glucopyranoside
|
572.60
|
-4.7
|
9
|
14
|
236.06
|
3
|
|
|
(1R,2S,5R,8S,9R,16R,17S,18S,21R,24R,26S,27S)-5,16-dihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.118,27.01,5.02,24.08,17.09,14.021,26]nonacosa-11,14-diene-4,10,22,29-tetrone
|
526.50
|
-0.3
|
2
|
10
|
145.66
|
0
|
|
|
(1S,2S,3R,5S,6S,7R,14R,15S,18R,21S,22R,25S)-5,7,18-trihydroxy-1,14,21,25-tetramethyl-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacosa-8,10-diene-13,19,24,27-tetrone
|
528.50
|
-0.1
|
3
|
10
|
156.66
|
0
|
|
|
(1S,2S,3R,5S,6S,7R,14R,15S,18R,21S,22R,25S)-5,7,18-trihydroxy-1,14,21,25-tetramethyl-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacosa-8,11-diene-13,19,24,27-tetrone
|
528.50
|
-0.1
|
3
|
10
|
156.66
|
0
|
|
|
(1S,2R,9S,10S,12S)-12-methoxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
|
278.39
|
1.1
|
0
|
3
|
32.78
|
1
|
|
|
CID 101637361
|
396.40
|
1.3
|
3
|
8
|
122.52
|
4
|
|
|
(4R,4aS,6aR,7R,7aR,8S,8aR,9aS,9bS)-Tetradecahydro-7-hydroxy-4,7a,9b-trimethyl-6a,8-methano-6aH-cyclopropa[b]phenanthrene-4-carboxylic acid
|
318.40
|
4.1
|
2
|
3
|
57.53
|
1
|
|
|
6a,8-Methano-6aH-cyclopropa[b]phenanthren-6(2H)-one, dodecahydro-7-hydroxy-4-(hydroxymethyl)-4,7a,9b-trimethyl-, (4R,4aS,6aS,7S,7aR,8S,8aR,9aS,9bR)-
|
318.40
|
2.7
|
2
|
3
|
57.53
|
1
|
|
|
methyl (1S,4aR,5R,7R,7aR)-4a,5-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate
|
406.40
|
-1.9
|
6
|
11
|
175.37
|
5
|
|
|
1-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]ethanone
|
460.40
|
-2.7
|
6
|
12
|
184.6
|
7
|
|
|
dimethyl (1S,4aR,7aR)-5-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,6,7,7a-tetrahydrocyclopenta[c]pyran-4,4a-dicarboxylate
|
432.40
|
-2
|
4
|
12
|
178.28
|
7
|
|
|
(2r,4As)-4a-methyl-2-(1-methylethenyl)-1,2,3,4,4a,5,6,7-octahydronaphthalene
|
190.32
|
5
|
0
|
0
|
0
|
1
|
|
|
(1S)-1,3,11,12,14,21-hexahydroyohimban
|
274.40
|
3.5
|
1
|
1
|
19.03
|
0
|
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