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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
4-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl]-2-methylidenebutanal
|
288.40
|
4.3
|
0
|
2
|
34.14
|
4
|
|
|
6,11-Dihydroxy-5-[5-hydroxy-2,2-dimethyl-10-(2-methylbut-3-en-2-yl)-8-oxo-3,4-dihydropyrano[3,2-g]chromen-4-yl]-3,3,12-trimethylpyrano[2,3-c]acridin-7-one
|
635.70
|
7.9
|
3
|
9
|
131.36
|
3
|
|
|
(1S,2S,4aS,4bR,6aR,8S,9R,10aR,10bR)-7,7-bis(hydroxymethyl)-1',1',4a,4b,10a-pentamethylspiro[3,4,5,6,6a,8,9,10,10b,11-decahydro-1H-chrysene-2,3'-cyclopentane]-1,8,9-triol
|
476.70
|
4.3
|
5
|
5
|
101.15
|
2
|
|
|
(2S,3R,4aR,4bR,6S,8S,10aS,10bR,12aR)-1,1-bis(hydroxymethyl)-6-methoxy-1',1',4a,10a,10b-pentamethylspiro[3,4,4b,5,6,9,10,11,12,12a-decahydro-2H-chrysene-8,3'-cyclopentane]-2,3-diol
|
490.70
|
5.4
|
4
|
5
|
90.15
|
3
|
|
|
[(3S,4aR,6aS,6aR,6bR,8aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,6a,7,8,9,10,13,14,14a-tetradecahydropicen-3-yl] octadecanoate
|
693.20
|
18.4
|
0
|
2
|
26.3
|
18
|
|
|
dimethyl (13Z)-13-ethylidene-3',8,26-trimethylspiro[22-oxa-8,15,26,33-tetrazaundecacyclo[28.5.1.112,18.01,27.02,25.04,23.05,21.07,19.09,15.09,18.028,33]heptatriaconta-2(25),3,5,7(19),20,23-hexaene-31,2'-oxirane]-36,37-dicarboxylate
|
704.90
|
4.7
|
0
|
10
|
91.23
|
4
|
|
|
Chrysophanic acid
|
254.24
|
3.5
|
2
|
4
|
74.6
|
0
|
|
|
[(3S,4S,5R,6R)-4,5-diacetyloxy-6-[[(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]oxan-3-yl] acetate
|
706.60
|
0.4
|
6
|
18
|
267.41
|
12
|
|
|
methyl (1S,15R,17S,18S)-17-ethyl-5-[(1S,12R,14S,15S,18S)-15-ethyl-18-methoxycarbonyl-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-yl]-6-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate
|
706.90
|
6.9
|
2
|
7
|
99.89
|
8
|
|
|
[(2R)-2-[(2S,4bS,7R)-2,4b,8,8-tetramethyl-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-2-yl]-2-hydroxyethyl] acetate
|
526.70
|
2.2
|
5
|
9
|
145.91
|
7
|
|
|
[(3aS,6S,6aS,9aS,9bR)-6a-hydroxy-9a-methyl-3-methylidene-2,9-dioxo-4,5,6,7,8,9b-hexahydro-3aH-azuleno[4,5-b]furan-6-yl] 2-methylbutanoate
|
350.40
|
1.9
|
1
|
6
|
89.9
|
4
|
|
|
[(3aS,6S,6aS,9aS,9bR)-6a-hydroxy-9a-methyl-3-methylidene-2,9-dioxo-4,5,6,7,8,9b-hexahydro-3aH-azuleno[4,5-b]furan-6-yl] 3-methylbutanoate
|
350.40
|
1.7
|
1
|
6
|
89.9
|
4
|
|
|
3-Hydroxy-4-methylindeno[1,2-b]pyridin-5-one
|
211.22
|
2
|
1
|
3
|
50.19
|
0
|
|
|
(3R,6S)-6-[(1S)-1-[(3R,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-3-methyloxan-2-one
|
456.70
|
7.4
|
1
|
3
|
46.53
|
2
|
|
|
(2R,5S,6S)-5-hydroxy-6-[(3R,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptanoic acid
|
474.70
|
6.6
|
3
|
4
|
77.76
|
6
|
|
|
(2S,3R,4S,5R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-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]oxyoxan-3-yl]oxyoxane-3,4,5-triol
|
708.90
|
2
|
6
|
12
|
176.76
|
5
|
|
|
3,3,10-trimethyl-6H-pyrano[2,3-c]carbazole
|
263.30
|
2.9
|
0
|
2
|
21.59
|
0
|
|
|
3,10-dimethyl-3-(3-methylbut-2-enyl)-6H-pyrano[2,3-c]carbazole
|
317.40
|
4.5
|
0
|
2
|
21.59
|
2
|
|
|
4-[(2Z)-3,7-dimethylocta-2,6-dienyl]-6-methyl-9H-carbazol-3-ol
|
333.50
|
7.2
|
2
|
1
|
36.02
|
5
|
|
|
[(1S,2S,3R,5S,8R,9R,10R,13S)-2,9,10,13-tetraacetyloxy-1-hydroxy-8,12,15,15-tetramethyl-4-methylidene-5-tricyclo[9.3.1.03,8]pentadec-11-enyl] (3R)-3-(dimethylamino)-3-phenylpropanoate
|
711.80
|
3
|
1
|
12
|
154.97
|
14
|
|
|
[3-[2,6-Bis-O-(3,4,5-trihydroxybenzoyl)-I(2)-D-glucopyranosyl]-2,4,6-trihydroxyphenyl](4-hydroxyphenyl)methanone
|
712.60
|
1.7
|
12
|
18
|
321.66
|
10
|
|
|
(3S,5S,8R,9S,10S,13R,14S,17R)-3-[(2R,3R,4S,5S,6R)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
|
712.80
|
-2.3
|
8
|
15
|
242.13
|
7
|
|
|
(1S)-1-[[4-[[(6aS)-1,2,3,9,10-pentamethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-8-yl]oxy]phenyl]methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-5-ol
|
712.80
|
6.3
|
1
|
11
|
100.55
|
11
|
|
|
cyclo[Ala-Pro-Phe-Trp-Gly-Gly-Pro]
|
712.80
|
1.3
|
6
|
7
|
201.91
|
4
|
|
|
Montecristin
|
574.90
|
12.9
|
2
|
4
|
66.76
|
29
|
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