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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(1S,1'R,3'S,5S,6S,7R,9S,11R)-3',7,11-triacetyloxy-6',6'-dimethyl-10-methylidene-2-oxospiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,2'-cyclohexane]-1'-yl]methyl acetate
|
534.60
|
2.3
|
0
|
10
|
131.5
|
9
|
|
|
Methyl 2,4-dihydroxy-6-[2-hydroxy-5,6-dimethoxy-3,4-bis(3-methylbut-2-enyl)phenoxy]benzoate
|
472.50
|
6.6
|
3
|
8
|
114.68
|
10
|
|
|
(2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6S)-6-[4-[(3S,3aR,6S,6aR)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxyphenoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
742.70
|
-1.7
|
8
|
18
|
254.14
|
12
|
|
|
5-[(R)-hydroxy-[(2S,3S)-3-phenyloxiran-2-yl]methyl]-2-phenoxyphenol
|
334.40
|
3.5
|
2
|
4
|
62.22
|
5
|
|
|
(3S,5S,9R,10R,13R,14S,17S)-3,5,14-trihydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one
|
480.60
|
0.7
|
6
|
7
|
138.45
|
5
|
|
|
(2R,3R)-2-[(3,4-dihydroxyphenyl)methyl]-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-2-hydroxybutanedioic acid
|
434.30
|
1.1
|
7
|
11
|
202.05
|
9
|
|
|
methyl (1S,2R,4R,7E,9S,10S,11R)-9-acetyloxy-4-methyl-10-[(Z)-2-methylbut-2-enoyl]oxy-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-ene-8-carboxylate
|
448.50
|
2.2
|
0
|
9
|
117.73
|
7
|
|
|
Trans-3-methyldodec-cis-6-en-4-olide
|
210.31
|
4.1
|
0
|
2
|
26.3
|
6
|
|
|
(1S,9R,10R,16R)-16-methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadec-2(7)-en-5-one
|
260.37
|
1.2
|
2
|
2
|
41.13
|
0
|
|
|
(1R,9S,10S)-10-hydroxy-16-methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),16-dien-5-one
|
274.36
|
-0.7
|
3
|
3
|
61.36
|
0
|
|
|
(1S,3R,5S,8S,10R,16S)-8-hydroxy-3-methyl-17-oxa-12-azapentacyclo[8.6.1.01,12.05,16.08,16]heptadecan-7-one
|
277.36
|
1.1
|
1
|
4
|
49.77
|
0
|
|
|
1-Isothiocyanato-7-(methylthio)heptane
|
203.40
|
4.2
|
0
|
3
|
69.75
|
8
|
|
|
(2S,3S,4R,5R,6R)-6-[[(3S,4aR,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8a-carboxy-8-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxane-2-carboxylic acid
|
795.00
|
3.9
|
8
|
14
|
232.9
|
6
|
|
|
(2S,3S,4R,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid
|
927.10
|
2.6
|
10
|
18
|
291.82
|
10
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-5-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylic acid
|
911.10
|
3
|
9
|
17
|
271.59
|
8
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-5-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylic acid
|
1073.20
|
1.2
|
12
|
22
|
350.74
|
11
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxane-2-carboxylic acid
|
941.10
|
2.9
|
10
|
18
|
291.82
|
9
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxane-2-carboxylic acid
|
1103.20
|
1.1
|
13
|
23
|
370.97
|
12
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-5-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylic acid
|
1059.20
|
1
|
12
|
22
|
350.74
|
12
|
|
|
(6S,6aS,9aS,9bS)-3,6,9-trimethyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5,6a,7,9a,9b-hexahydroazuleno[4,5-b]furan-2-one
|
410.50
|
-0.3
|
4
|
8
|
125.68
|
3
|
|
|
(3R,3aS,5S,6R,9aS,9bR)-6-hydroxy-3,6,9-trimethyl-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,3a,4,5,5a,7,9a,9b-octahydrobenzo[g][1]benzofuran-2-one
|
428.50
|
-0.7
|
5
|
9
|
145.91
|
3
|
|
|
Jaeschkeanadiol
|
238.37
|
2.6
|
2
|
2
|
40.46
|
1
|
|
|
(3R,4R,4aR,6aS,6bR,8aR,12aR,14bS)-3-acetyloxy-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a-dodecahydropicene-4-carboxylic acid
|
496.70
|
8.1
|
1
|
4
|
63.6
|
3
|
|
|
[(2R,3S,4S,5R,6S)-6-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-17-[(2R)-2-hydroxy-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]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
|
827.00
|
4
|
8
|
14
|
225.06
|
12
|
|
|
[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-17-[(2S)-2-hydroxy-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]phenanthren-3-yl]oxy]oxan-2-yl]methyl acetate
|
664.90
|
5.6
|
5
|
9
|
145.91
|
9
|
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