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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(E,2S,3S)-2-acetyloxy-3,5-bis(4-acetyloxyphenyl)pent-4-enyl] acetate
|
454.50
|
3.6
|
0
|
8
|
105.2
|
13
|
|
|
(1R,2R,6Z,10R,16S)-16-butyl-6-butylidene-5,15-dioxapentacyclo[9.5.2.01,13.02,10.03,7]octadeca-3(7),12-diene-4,14-dione
|
382.50
|
5.1
|
0
|
4
|
52.6
|
5
|
|
|
[(2R,3S)-4-acetyloxy-2,3-bis[(4-acetyloxy-3-methoxyphenyl)methyl]butyl] acetate
|
530.60
|
3.9
|
0
|
10
|
123.66
|
17
|
|
|
[(E)-3-[4-acetyloxy-3-(2-acetyloxy-5-formyl-3-methoxyphenyl)-5-methoxyphenyl]prop-2-enyl] acetate
|
456.40
|
2.8
|
0
|
9
|
114.43
|
12
|
|
|
[4-(5-Formyl-7-methoxy-3-methyl-1-benzofuran-2-yl)-2-methoxyphenyl] acetate
|
354.40
|
3.5
|
0
|
6
|
74.97
|
6
|
|
|
[4-(5-Formyl-7-methoxy-3-methyl-1-benzofuran-2-yl)phenyl] acetate
|
324.30
|
3.5
|
0
|
5
|
65.74
|
5
|
|
|
[2-(4-Acetyloxy-3-methoxyphenyl)-5-formyl-7-methoxy-1-benzofuran-3-yl]methyl acetate
|
412.40
|
2.8
|
0
|
8
|
101.27
|
9
|
|
|
[(E)-3-[4-acetyloxy-3-[(Z)-1-(4-acetyloxy-3-methoxyphenyl)prop-1-en-2-yl]-5-methoxyphenyl]prop-2-enyl] acetate
|
468.50
|
4.6
|
0
|
8
|
97.36
|
12
|
|
|
[(E)-3-[4-[2-acetyloxy-5-[(E)-3-acetyloxyprop-1-enyl]-3-methoxyphenoxy]-3-methoxyphenyl]prop-2-enyl] acetate
|
484.50
|
3.8
|
0
|
9
|
106.59
|
14
|
|
|
[(1R,7R,8R,17S,18R,20S,21S)-4,6,7,11,12,21-hexahydroxy-18-(hydroxymethyl)-3,15-dioxo-2,16,19,22-tetraoxapentacyclo[15.3.1.17,10.04,8.09,14]docosa-9,11,13-trien-20-yl] 3,4,5-trihydroxybenzoate
|
624.50
|
-2.3
|
10
|
18
|
299.66
|
4
|
|
|
N-[2-[5-(beta-d-glucosyloxy)-1h-indol-3-yl]ethyl]ferulamid
|
514.50
|
1.2
|
7
|
9
|
173.73
|
9
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,8S,8aR,9R,10R,12aS,14aR,14bR)-8a-(acetyloxymethyl)-10-benzoyloxy-8,9-dihydroxy-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
|
829.00
|
4.3
|
7
|
14
|
229.74
|
10
|
|
|
(2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,8S,8aS,10S,12aS,14aR,14bR)-3,8,10-trihydroxy-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-4-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
|
947.10
|
-1.4
|
13
|
19
|
318.37
|
10
|
|
|
(2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[[(4aS,5S,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-9-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4a-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
1255.40
|
-4.4
|
18
|
28
|
456.44
|
16
|
|
|
(2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[[(4aS,5S,6aR,6aR,6bR,8aR,9R,10S,12aR,14aS)-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-9-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-3,4,5,6,6a,7,8,8a,10,11,12,13,14,14a-tetradecahydropicen-4a-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
1255.40
|
-4.1
|
18
|
28
|
456.44
|
16
|
|
|
24-Methylene-cycloartanol palmitate
|
679.20
|
18.2
|
0
|
2
|
26.3
|
21
|
|
|
(3Z,5R,6R)-2,2,6,9-tetramethyl-5,6-dihydro-1-benzoxocine-5,8-diol
|
248.32
|
2.7
|
2
|
3
|
49.69
|
0
|
|
|
(3Z)-6-(2,5-Dihydroxy-4-methylphenyl)-5-hydroxy-3-hepten-2-one
|
250.29
|
1.5
|
3
|
4
|
77.76
|
4
|
|
|
[(1S,5R,8R,9S,10R,11S,13R,14S,16S,17R,18S,19S)-10,13-dihydroxy-5-methyl-12-methylidene-3-oxo-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-19-yl] benzoate
|
447.50
|
1.2
|
2
|
6
|
87.07
|
3
|
|
|
[(1S,5R,8R,9S,10R,11S,13R,14S,16S,17R,18S,19S)-13-acetyloxy-10-hydroxy-5-methyl-12-methylidene-3-oxo-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-19-yl] benzoate
|
489.60
|
1.7
|
1
|
7
|
93.14
|
5
|
|
|
(3R,4S,6S,9R,10R)-4,10-dibromo-9-chloro-5,5,9-trimethyl-1-methylidenespiro[5.5]undecan-3-ol
|
414.60
|
4.7
|
1
|
1
|
20.23
|
0
|
|
|
methyl (5Z)-5-ethylidene-4-[2-oxo-2-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl]methoxy]ethyl]-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
|
686.70
|
-2.2
|
8
|
17
|
260.59
|
14
|
|
|
(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-6-yl]-8-[(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
|
866.80
|
3.3
|
15
|
18
|
331.14
|
5
|
|
|
Saniculoside R-1
|
1061.20
|
1.2
|
13
|
22
|
361.74
|
13
|
|
|
[(1S,13R,15R)-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-15-yl] acetate
|
313.30
|
2.3
|
0
|
5
|
48
|
2
|
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