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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
methyl (1S,4aS,6S,7R,7aS)-6-[(2S,3R,4S)-4-(2-acetyloxyethyl)-3-ethenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carbonyl]oxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
|
790.80
|
-1.7
|
8
|
20
|
296.12
|
16
|
|
|
methyl (1R,4aS,6S,7R,7aS)-6-[(2S,3R,4S)-3-ethenyl-4-(2-oxoethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carbonyl]oxy-1-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
|
584.60
|
-1
|
5
|
14
|
207.74
|
11
|
|
|
Sylvestroside I
|
748.70
|
-2.3
|
9
|
19
|
290.05
|
14
|
|
|
methyl 2-[3-[2-(5-ethyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-1H-indol-2-yl]prop-2-enoate
|
338.40
|
3.8
|
1
|
3
|
45.33
|
7
|
|
|
(Z)-2-[2-[(1R,4aS,6R,8aS)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]but-2-ene-1,4-diol
|
322.50
|
3.3
|
3
|
3
|
60.69
|
5
|
|
|
[(3aR,4S,4aS,5S,8R,8aR,9aS)-5,8-dihydroxy-5,8a-dimethyl-3-methylidene-2-oxo-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-4-yl] (Z)-2-methylbut-2-enoate
|
364.40
|
2.2
|
2
|
6
|
93.06
|
3
|
|
|
[(1R,2R,4R,6R,8S,9Z,11R)-8-hydroxy-4,9-dimethyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.04,6]tetradec-9-en-2-yl] 2-methylpropanoate
|
350.40
|
1.7
|
1
|
6
|
85.36
|
3
|
|
|
(6R)-10-hydroxy-16,17-dimethoxy-6-prop-1-en-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),3(11),4(8),9,14,16,18-heptaene-12,21-dione
|
422.40
|
4.3
|
1
|
8
|
108.34
|
3
|
|
|
Variegatic acid
|
372.30
|
1.2
|
6
|
9
|
164.75
|
3
|
|
|
(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-1-[(2S)-1-hydroxypropan-2-yl]-3a,5a,5b,8,8,11a-hexamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol
|
444.70
|
8.7
|
2
|
2
|
40.46
|
2
|
|
|
(3R,3aR,4aR,5S,9aR)-3,4a,5-trimethyl-3,3a,4,5,6,7,9,9a-octahydrobenzo[f][1]benzofuran-2-one
|
234.33
|
3.5
|
0
|
2
|
26.3
|
0
|
|
|
[6-(Furan-3-yl)-16-hydroxy-12-(2-methoxy-2-oxoethyl)-7,11,13,13-tetramethyl-18-(2-methylbutanoyloxy)-4-oxo-5,17-dioxapentacyclo[13.2.1.01,10.02,7.011,16]octadec-2-en-14-yl] 2-methylbutanoate
|
670.80
|
4.9
|
1
|
11
|
147.8
|
12
|
|
|
[6-(Furan-3-yl)-16-hydroxy-12-(2-methoxy-2-oxoethyl)-7,9,13,13-tetramethyl-18-(2-methylbutanoyloxy)-4-oxo-5,17-dioxapentacyclo[13.2.1.01,10.02,7.011,16]octadecan-14-yl] 2-methylbutanoate
|
672.80
|
5.4
|
1
|
11
|
147.8
|
12
|
|
|
[6-(Furan-3-yl)-15,16-dihydroxy-12-(2-methoxy-2-oxoethyl)-7,9,13,13-tetramethyl-18-(2-methylbutanoyloxy)-4-oxo-5,17-dioxapentacyclo[13.2.1.01,10.02,7.011,16]octadec-2-en-14-yl] 2-methylbutanoate
|
686.80
|
3.9
|
2
|
12
|
168.03
|
12
|
|
|
[(3aR,4S,9aS,9bR)-6,9-dimethyl-3-methylidene-2-oxo-3a,4,5,7,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl] acetate
|
288.34
|
1.7
|
0
|
4
|
52.6
|
2
|
|
|
(1S,2R,4R,6R,7R,8S,9R,12S)-2,8-dihydroxy-6-(hydroxymethyl)-7-methyl-12-propan-2-yl-5,10-dioxatetracyclo[7.2.1.02,7.04,6]dodecan-11-one
|
298.33
|
-0.5
|
3
|
6
|
99.52
|
2
|
|
|
Cyclomammein
|
388.50
|
3.9
|
2
|
6
|
96.97
|
6
|
|
|
(1R,2R,5S,6S)-3-(3-methylbut-2-enyl)-7-oxabicyclo[4.1.0]hept-3-ene-2,5-diol
|
196.24
|
0.4
|
2
|
3
|
52.99
|
2
|
|
|
(1R,3R,7S,8R)-N-methyl-2-oxa-6-azatricyclo[4.2.1.03,7]nonan-8-amine
|
154.21
|
-0.4
|
1
|
3
|
24.5
|
1
|
|
|
(1R,2S,5S,9R,12S,13S,16S,18S)-16-[(2R,4S,5R,6R)-5-amino-4-methoxy-6-methyloxan-2-yl]oxy-6,13-dimethyl-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icosane-2,6-diol
|
493.70
|
2.7
|
3
|
7
|
103.4
|
3
|
|
|
(1S,2S,5S,7R,10S)-2-formyl-6,6-dimethyl-10-[(9R,10R)-9,10,16-trihydroxyhexadecanoyl]oxytricyclo[5.3.1.01,5]undec-8-ene-8-carboxylic acid
|
550.70
|
4.4
|
4
|
8
|
141.36
|
19
|
|
|
(9R,12R,13Z,16S,17S)-13-ethylidene-6-methoxy-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2(7),3,5-trien-18-one
|
336.40
|
1.9
|
0
|
4
|
32.78
|
1
|
|
|
methyl (2R,5S,8S,10R,11R)-17-hydroxy-2,5,8,11,12,18-hexamethyl-7,16-dioxopentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(21),12,14,17,19-pentaene-8-carboxylate
|
462.60
|
3.8
|
1
|
5
|
80.67
|
2
|
|
|
Sanguisorbigenin
|
454.70
|
6.1
|
2
|
3
|
57.53
|
1
|
|
|
(1R,2S,3'R,4S,5'R,6S,7S,8R,9S,12S,13R,16S,18S,19S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-3',16,19-triol
|
448.60
|
4.2
|
3
|
5
|
79.15
|
0
|
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