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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(3S,3aS,5aR,5bR,7aS,11aS,11bR,13aS,13bR)-5a,5b,8,8,11a-pentamethyl-3-prop-1-en-2-yl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-13b-yl]methanol
|
426.70
|
10
|
1
|
1
|
20.23
|
2
|
|
|
[(3R,3aR,5aR,5bR,7aS,11aS,11bR,13aR,13bR)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl] acetate
|
428.70
|
9.3
|
0
|
2
|
26.3
|
2
|
|
|
[(1R,3S,4R,4aR,5S,7R,8S,8aR)-8-[(3aR,5S,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]-5-acetyloxy-4a-(acetyloxymethyl)-3-hydroxy-7,8-dimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-1-yl] (E)-2-methylbut-2-enoate
|
550.60
|
2.7
|
1
|
10
|
130.12
|
9
|
|
|
methyl (1R,7R,10R)-10,11,11-trimethyltricyclo[5.3.1.01,5]undec-4-ene-4-carboxylate
|
248.36
|
4
|
0
|
2
|
26.3
|
2
|
|
|
(2S,3R,4S,5S,6R)-2-[4-[(3S,3aR,6S,6aR)-3-(3,4-dihydroxy-5-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-hydroxy-6-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
552.50
|
-0.2
|
7
|
13
|
196.99
|
7
|
|
|
3-[5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-6-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
|
526.50
|
5.1
|
6
|
9
|
160.82
|
3
|
|
|
[(2R,3S,4S,5R,6R)-6-[[(3aR,4S,6E,10Z,11aR)-6-formyl-4-hydroxy-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-10-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 2-(4-hydroxyphenyl)acetate
|
574.60
|
-0.5
|
5
|
12
|
189.28
|
9
|
|
|
dimethyl (1S,4S,5S,6R,7S,8R,11S,12R,14S,15R)-12-acetyloxy-4,7-dihydroxy-6-[(1S,2S,6S,8S)-2-hydroxy-10-methyl-5,7-dioxatricyclo[6.2.1.02,6]undeca-3,9-dien-9-yl]-6-methyl-14-[(E)-2-methylbut-2-enoyl]oxy-3,9-dioxatetracyclo[6.6.1.01,5.011,15]pentadecane-4,11-dicarboxylate
|
704.70
|
-0.5
|
3
|
15
|
202.81
|
10
|
|
|
1-O-[(E)-3-[3-hydroxy-5-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enyl] 5-O-methyl 3-hydroxy-3-methylpentanedioate
|
516.50
|
-1
|
6
|
13
|
201.67
|
13
|
|
|
beta-Apo-8'-carotenal
|
416.60
|
9.4
|
0
|
1
|
17.07
|
9
|
|
|
(2S,6aS,7R,10aR)-2-hydroxy-2,5-dimethyl-10-methylidene-7-prop-1-en-2-yl-3,6a,7,8,9,10a-hexahydrobenzo[h]azulene-1,4-dione
|
312.40
|
3
|
1
|
3
|
54.37
|
1
|
|
|
(2R,6aR,7S,10aS)-2-hydroxy-2,5-dimethyl-10-methylidene-7-prop-1-en-2-yl-3,6a,7,8,9,10a-hexahydrobenzo[h]azulene-1,4-dione
|
312.40
|
3
|
1
|
3
|
54.37
|
1
|
|
|
(2R,6aS,7R,10aR)-2-hydroxy-2,5-dimethyl-10-methylidene-7-prop-1-en-2-yl-3,6a,7,8,9,10a-hexahydrobenzo[h]azulene-1,4-dione
|
312.40
|
3
|
1
|
3
|
54.37
|
1
|
|
|
(2S,6aR,7S,10aS)-2-hydroxy-2,5-dimethyl-10-methylidene-7-prop-1-en-2-yl-3,6a,7,8,9,10a-hexahydrobenzo[h]azulene-1,4-dione
|
312.40
|
3
|
1
|
3
|
54.37
|
1
|
|
|
(2S)-2-methyl-4-[(2R,12R,15R)-2,12,15-trihydroxy-15-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]pentadecyl]-2H-furan-5-one
|
624.90
|
9.9
|
4
|
7
|
116.45
|
28
|
|
|
[(2R,3R,4S,5R,6S)-4-acetyloxy-6-[4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-2,3-dihydroxyphenoxy]-3,5-dihydroxyoxan-2-yl]methyl acetate
|
534.50
|
1.3
|
6
|
13
|
209.51
|
10
|
|
|
1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-2-(4-hydroxyphenyl)ethane-1,2-dione
|
406.40
|
3.9
|
4
|
7
|
124.29
|
4
|
|
|
[(2S,3R,4S,5S,6R)-2-[5,8-dihydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
654.60
|
3
|
7
|
15
|
235.04
|
10
|
|
|
(1R,7R,10R)-10,11,11-trimethyltricyclo[5.3.1.01,5]undec-4-ene-4-carbaldehyde
|
218.33
|
3.6
|
0
|
1
|
17.07
|
1
|
|
|
(1S,4aR,6S,7R,7aR)-4a,6-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-carbaldehyde
|
376.36
|
-2.3
|
6
|
10
|
166.14
|
4
|
|
|
Cichorioside B
|
440.40
|
-2.2
|
5
|
10
|
162.98
|
4
|
|
|
4,5-Dimethoxy-2-[(4,15,16-trimethoxy-8-oxo-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-5-yl)oxy]benzaldehyde
|
501.50
|
4.4
|
0
|
9
|
102.41
|
8
|
|
|
[(1S,4S,5S,9S,10R,13R)-5,9-dimethyl-14-methylidene-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methyl acetate
|
330.50
|
6.1
|
0
|
2
|
26.3
|
3
|
|
|
(2R)-2-phenyl-9-[(Z)-3-phenylprop-2-enoyl]-1,5,9,14-tetrazabicyclo[12.3.1]octadecan-4-one
|
474.60
|
3.7
|
1
|
4
|
55.89
|
3
|
|
|
Funtumine
|
317.50
|
4.6
|
1
|
2
|
43.09
|
1
|
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