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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(1'R,3'R,4'R,5'R,6'R,12'S,13'S,16'R,18'S,21'R)-1,4',6',12',17',17'-hexamethyl-18'-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyspiro[3,6-dioxabicyclo[3.1.0]hexane-4,8'-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosane]-3'-yl] acetate
|
660.80
|
3.9
|
3
|
10
|
136.44
|
4
|
|
|
(2S,4aS,7S,10aR)-7-ethenyl-1,1,4a,7-tetramethyl-3,4,5,6,8,9,10,10a-octahydro-2H-phenanthren-2-ol
|
288.50
|
5
|
1
|
1
|
20.23
|
1
|
|
|
methyl (1S,4S,8R,11Z,14S)-11-ethylidene-12-oxo-7,9,13-trioxatetracyclo[6.5.1.01,10.04,14]tetradeca-2,5-diene-5-carboxylate
|
290.27
|
0.8
|
0
|
6
|
71.06
|
2
|
|
|
[(2R,3S,4S,5R,6S)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyloxy]-6-(hydroxymethyl)oxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxy-3,4-dihydroxyoxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
1156.00
|
|
14
|
27
|
430.19
|
21
|
|
|
[(2R,3S,4S,5R,6S)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyloxy]-6-(hydroxymethyl)oxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxy-3,4-dihydroxyoxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate
|
1126.00
|
|
14
|
26
|
420.96
|
20
|
|
|
(3aR,4R,6aR,9S,9aR,9bR)-4-hydroxy-9-methyl-3,6-dimethylidene-3a,4,5,6a,7,9,9a,9b-octahydroazuleno[4,5-b]furan-2,8-dione
|
262.30
|
0.8
|
1
|
4
|
63.6
|
0
|
|
|
Ginsenoyne M
|
462.70
|
8.2
|
0
|
2
|
21.76
|
9
|
|
|
Ginsenoyne N
|
462.70
|
8.7
|
0
|
2
|
21.76
|
9
|
|
|
4,5-Dioxodehydroasimilobine
|
293.27
|
2.8
|
2
|
4
|
75.63
|
1
|
|
|
(1S,4S,5R,8R,10S,13R,14R,17S,18R,20S)-10-[(2S,3R,4S,5S)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5,9,9,13,20-hexamethyl-2-oxo-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosane-20-carbaldehyde
|
1073.20
|
-1
|
11
|
22
|
339.74
|
11
|
|
|
[(1S,2E,8R,10R,11R)-6-(acetyloxymethyl)-10,11-dihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-8-yl] 2-methylprop-2-enoate
|
422.40
|
0.1
|
2
|
9
|
128.59
|
6
|
|
|
(2S,3R,4S,5S,6R)-2-[[(1S,4aR,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1,3,4,4a,5,7a-hexahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
348.34
|
-3.1
|
6
|
9
|
149.07
|
4
|
|
|
(1S,4aR,5S,7aS)-1,4a,5,7a-Tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopenta[c]pyran-1-yl 6-O-I(2)-D-glucopyranosyl-I(2)-D-glucopyranoside
|
508.50
|
-5.2
|
9
|
14
|
228.22
|
7
|
|
|
[(1S,4aS,5R,7aR)-4a,5-dihydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,7a-dihydro-1H-cyclopenta[c]pyran-7-yl]methyl acetate
|
404.40
|
-3.5
|
6
|
11
|
175.37
|
6
|
|
|
p-Coutaric acid
|
296.23
|
0.4
|
4
|
8
|
141.36
|
7
|
|
|
(1R)-5-methoxy-13,16,16-trimethyl-15-oxatetracyclo[8.7.1.02,7.014,18]octadeca-2(7),3,5,10,12,14(18)-hexaene-6,12-diol
|
340.40
|
4.3
|
2
|
4
|
58.92
|
1
|
|
|
(1R)-13,16,16-trimethyl-15-oxatetracyclo[8.7.1.02,7.014,18]octadeca-2(7),3,5,10,12,14(18)-hexaene-5,6,12-triol
|
326.40
|
3.9
|
3
|
4
|
69.92
|
0
|
|
|
Flakinin B
|
296.36
|
0.5
|
2
|
5
|
75.99
|
3
|
|
|
(E)-N-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-phenylprop-2-enamide
|
297.30
|
2.4
|
2
|
3
|
58.56
|
6
|
|
|
CID 101087017
|
458.70
|
7.4
|
2
|
3
|
57.53
|
5
|
|
|
(2R)-4-[(11S,12S,15Z,19Z)-11,12-dihydroxydotriaconta-15,19-dienyl]-2-methyl-2H-furan-5-one
|
574.90
|
12.9
|
2
|
4
|
66.76
|
29
|
|
|
(1S,2R,4S,7S,8S,11S,13S,14S,15R,17S,20S,21S,24S)-11,13,24-trihydroxy-2,7,11,15,20,24-hexamethyl-5,18-dioxaheptacyclo[13.10.1.02,14.03,12.04,8.016,25.017,21]hexacosa-3(12),16(25)-diene-6,19,26-trione
|
526.60
|
-0.3
|
3
|
8
|
130.36
|
0
|
|
|
11,20-Dihydroxy-16-(2-hydroxypropan-2-yl)-7-methyl-7-(4-methylpent-3-enyl)-2,8,17-trioxapentacyclo[12.9.0.03,12.04,9.018,23]tricosa-1(14),3(12),4(9),5,10,18(23),19,21-octaen-13-one
|
504.60
|
5.9
|
3
|
7
|
109.36
|
4
|
|
|
4,4-Dimethyl-10-(3-methylbut-2-enyl)-3,14-dioxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2(7),5,8(13),9,11,16,18-octaene-11,17-diol
|
376.40
|
5.4
|
2
|
4
|
58.92
|
2
|
|
|
5-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-(3-methylbut-2-enyl)benzo[b][1]benzoxepine-2,6,9-triol
|
446.60
|
7.9
|
3
|
4
|
69.92
|
7
|
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