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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(1S,2S,3'S,4S,4'S,6S,7R,8R,9S,12S,13R,14R,16R)-14-[(2S,3R,4S,5S)-3-[(2S,3R,4S,5S,6S)-5-acetyloxy-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3',16-dihydroxy-9,13-dimethyl-5'-methylidene-4'-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-7-yl]methyl acetate
|
1249.30
|
-4.6
|
13
|
29
|
426.35
|
16
|
|
|
[(1S,2S,3'R,4R,4'R,6R,7R,8R,9R,12R,13R,14R,16R)-14-[(2R,3R,4S,5R)-3-[(2R,3R,4S,5R,6R)-5-acetyloxy-4-[(2R,3R,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-4-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4'-[(2R,3R,4R,5S,6S)-3,4-dihydroxy-6-methyl-5-[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3',16-dihydroxy-9,13-dimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-7-yl]methyl acetate
|
1411.40
|
-6.1
|
16
|
34
|
505.5
|
19
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-9-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
|
1075.20
|
0.8
|
13
|
22
|
353.9
|
11
|
|
|
(2S,4aR,4bS,6aS,11aS,11bR)-2-[(2R,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-3,5-bis[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]peroxy]oxan-2-yl]oxy-4a,6a,7-trimethyl-8-[3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-2,3,4,4b,5,6,11,11a,11b,12-decahydro-1H-indeno[2,1-a]phenanthrene-10-carboxylic acid
|
1115.20
|
0.1
|
13
|
24
|
372.36
|
17
|
|
|
[(3R,4R,5S,7R)-3,4-dihydroxy-6-prop-2-enyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-7-yl] (E)-3-phenylprop-2-enoate
|
430.50
|
3.2
|
2
|
5
|
74.93
|
6
|
|
|
[(3R,4R,5S,7R)-4-hydroxy-7-[(E)-3-phenylprop-2-enoyl]oxy-6-prop-2-enyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-3-yl] 2-methylpropanoate
|
500.60
|
4.8
|
1
|
6
|
81
|
9
|
|
|
(4S,5R,7R,8R,13S,16S,19R,22R)-7-hydroxy-8-[(2R,4R,5S,6S)-5-[(2S,4S,5S,6R)-4-hydroxy-5-[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.04,13.05,10.019,22]docosa-1(21),10-dien-14-one
|
794.90
|
1.8
|
3
|
15
|
179.29
|
8
|
|
|
(E)-3-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-hydroxyphenyl]prop-2-enoic acid
|
300.40
|
5.3
|
2
|
3
|
57.53
|
7
|
|
|
(2R,3R,4R,5R,6S)-2-[[(1S,2R,3R)-7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-methyloxane-3,4,5-triol
|
536.60
|
0.9
|
6
|
11
|
167.53
|
8
|
|
|
[4-Hydroxy-1-(7-methoxy-2-oxochromen-8-yl)oxy-4-methylpentan-3-yl] hexadecanoate
|
546.70
|
9.4
|
1
|
7
|
95.2
|
22
|
|
|
3-(3,4-dihydro-2H-chromen-3-yl)-3,4-dihydro-2H-chromene
|
266.30
|
4.1
|
0
|
2
|
18.46
|
1
|
|
|
(3aS,5aR,6R,9S,9bS)-6-hydroxy-5a,9-dimethyl-3-methylidene-3a,4,5,6,7,9,9a,9b-octahydrobenzo[g][1]benzofuran-2,8-dione
|
264.32
|
1.4
|
1
|
4
|
63.6
|
0
|
|
|
Graveobioside A
|
580.50
|
-0.7
|
9
|
15
|
249.2
|
7
|
|
|
(2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-6-[[(2S,4aR,4bS,6aS,7R,11aS,11bR)-4a,6a,7-trimethyl-8-[3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-2,3,4,4b,5,6,7,8,11,11a,11b,12-dodecahydro-1H-indeno[2,1-a]phenanthren-2-yl]oxy]-4-hydroxy-2-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
1041.20
|
-0.1
|
12
|
20
|
316.6
|
14
|
|
|
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[[(2S,4aR,4bS,6aS,7R,11aS,11bR)-4a,6a,7-trimethyl-8-[3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-2,3,4,4b,5,6,7,8,11,11a,11b,12-dodecahydro-1H-indeno[2,1-a]phenanthren-2-yl]oxy]-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
1027.20
|
-0.5
|
12
|
20
|
316.6
|
14
|
|
|
methyl 2-[(1S,2S)-3-methoxy-5-oxo-2-propylcyclopent-3-en-1-yl]acetate
|
226.27
|
1.3
|
0
|
4
|
52.6
|
6
|
|
|
[(1S,3S,4S,6S,9R,10S,11S,13S,14S,16S)-3,16-dihydroxy-13-(hydroxymethyl)-5,5,9-trimethyl-12-oxapentacyclo[11.2.1.111,14.01,10.04,9]heptadecan-6-yl] acetate
|
394.50
|
2
|
3
|
6
|
96.22
|
3
|
|
|
[(1S,3S,4S,6S,9R,10S,11S,13S,14S,16S)-3-acetyloxy-16-hydroxy-13-(hydroxymethyl)-5,5,9-trimethyl-12-oxapentacyclo[11.2.1.111,14.01,10.04,9]heptadecan-6-yl] acetate
|
436.50
|
2.6
|
2
|
7
|
102.29
|
5
|
|
|
[(1R,2R,3R,4S,6S,9S,10S,11S,13S,14S,16S)-3-acetyloxy-2,16-dihydroxy-13-(hydroxymethyl)-5,5,9-trimethyl-12-oxapentacyclo[11.2.1.111,14.01,10.04,9]heptadecan-6-yl] acetate
|
452.50
|
1.6
|
3
|
8
|
122.52
|
5
|
|
|
(1R,4S,5R,8R,10S,13R,14R,17S,18R,20S)-10-[(2R,3S,4S,5R)-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-3,4-dihydroxyoxan-2-yl]oxy-4,5,9,9,13,20-hexamethyl-7-oxo-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosane-20-carbaldehyde
|
911.10
|
0.3
|
8
|
17
|
260.59
|
8
|
|
|
[(2R,3S,3aE,5S,8R,9Z,11R,12aS)-2,5,11-trimethyl-6,12-dioxo-8-prop-1-en-2-yl-1,2,3,5,7,8,11,12a-octahydrocyclopenta[11]annulen-3-yl] acetate
|
358.50
|
3.8
|
0
|
4
|
60.44
|
3
|
|
|
(3S,5R,6S,8R,9R,10R,13R,14R,16R,17R)-17-[(Z,2S)-2,7-dihydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6,16-triol
|
492.70
|
5.3
|
5
|
5
|
101.15
|
5
|
|
|
(2R,3R,4R,4aR,6aR,6bS,8aS,11S,12S,12aS,14aR,14bR)-2,3,12-trihydroxy-11-(hydroxymethyl)-4,6a,6b,12,14b-pentamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid
|
696.80
|
1.7
|
9
|
13
|
234.67
|
6
|
|
|
3''-O-Galloylmyricitrin
|
616.50
|
1.7
|
10
|
16
|
277.27
|
6
|
|
|
(1S,2S,3S,5S,6S,8S,9S,10S,11R,15S)-3,9,10,15-tetrahydroxy-6-(methoxymethyl)-12,12-dimethyl-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one
|
396.50
|
-0.7
|
4
|
7
|
116.45
|
2
|
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