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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(2E,6R,7E,9E)-6-hydroxy-N-(2-hydroxy-2-methylpropyl)-11-oxododeca-2,7,9-trienamide
|
295.37
|
0.5
|
3
|
4
|
86.63
|
9
|
|
|
(2E)-2-[(4aS,5R,7R,8R,8aS)-5-acetyloxy-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,5'-oxolane]-2'-ylidene]acetic acid
|
364.50
|
4.5
|
1
|
5
|
72.83
|
3
|
|
|
CID 101357919
|
378.50
|
4.1
|
0
|
5
|
61.83
|
2
|
|
|
(1S,5S,6S)-6-(4-hydroxy-3,5-dimethoxyphenyl)-5-(hydroxymethyl)-8-oxabicyclo[3.2.1]oct-3-en-2-one
|
306.31
|
0.7
|
2
|
6
|
85.22
|
4
|
|
|
(2S,3R,4S,5R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-17-[(2S,4S,5S)-4-hydroxy-5-(2-hydroxypropan-2-yl)-2-methyloxolan-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]oxyoxane-3,4,5-triol
|
787.00
|
2.4
|
9
|
14
|
228.22
|
7
|
|
|
(3S,5S,8R,9S,10S,13R,14R,17S)-17-[(E,2S)-6-hydroperoxy-1,2-dihydroxy-6-methylhept-4-en-2-yl]-3-[(2S,3R,4S,5S)-5-hydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,4,8,14-tetramethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
|
917.10
|
0.4
|
10
|
18
|
283.98
|
13
|
|
|
(3S,5S,8R,9S,10S,13R,14R,17S)-17-[(2S)-1,2-dihydroxy-6-methylhept-5-en-2-yl]-3-[(2S,3R,4S,5S)-5-hydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,4,8,14-tetramethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
|
885.10
|
2
|
9
|
16
|
254.52
|
12
|
|
|
(3S,5S,8R,9S,10S,13R,14R,17S)-17-[(2S)-2-hydroxy-6-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-3-[(2S,3R,4S,5S)-5-hydroxy-4-[(2S,3R,4S,5S,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]oxyoxan-2-yl]oxy-4,4,8,14-tetramethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
|
1077.30
|
0.3
|
13
|
22
|
353.9
|
16
|
|
|
Hederacolchiside E
|
1367.50
|
-2.3
|
17
|
30
|
471.74
|
16
|
|
|
(1I(2),3I(2),24S,25R)-3,24-Dihydroxyspirost-5-en-1-yl 2-O-(6-deoxy-I+/--L-mannopyranosyl)-I+/--L-arabinopyranoside
|
724.90
|
1.1
|
7
|
13
|
196.99
|
4
|
|
|
methyl (Z)-2-[(2R,3S,12bR)-3-ethyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate
|
368.50
|
3.4
|
1
|
4
|
54.56
|
5
|
|
|
7-hydroxy-3-[2-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
|
432.40
|
0.3
|
6
|
10
|
170.05
|
4
|
|
|
(5R,7R)-5-[(S)-furan-3-yl(hydroxy)methyl]-5,7,11,11-tetramethyl-8,15-dioxospiro[12,16-dioxatetracyclo[8.7.0.01,13.02,7]heptadecane-6,3'-oxirane]-2'-carboxylic acid
|
488.50
|
1
|
2
|
9
|
135.8
|
3
|
|
|
(1R,7aR,9S,11bR)-1-acetyloxy-9-[(S)-furan-3-yl(hydroxy)methyl]-5,5,7a,9,11b-pentamethyl-3,7-dioxospiro[2,5a,6,10,11,11a-hexahydro-1H-naphtho[2,1-c]oxepine-8,3'-oxirane]-2'-carboxylic acid
|
532.60
|
1.8
|
2
|
10
|
152.87
|
5
|
|
|
(8S,9S,10R,13S,14S,16S,17R)-17-[(2S,3S,6S)-3,7-dihydroxy-6-methylheptan-2-yl]-16-[(2S,3R,4S,5R)-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
|
726.90
|
1.3
|
8
|
13
|
215.83
|
11
|
|
|
[(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5R)-2-[[(8S,9S,10R,13S,14S,16S,17R)-17-[(2S,3S,6S)-3,7-dihydroxy-6-methylheptan-2-yl]-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-16-yl]oxy]-3,5-dihydroxyoxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
|
768.90
|
1.3
|
7
|
14
|
221.9
|
13
|
|
|
(8S,9S,10R,11R,13S,14S,16S,17R)-17-[(2S,3S,6S)-3,7-dihydroxy-6-methylheptan-2-yl]-16-[(2S,3R,4S,5R)-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-11-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
|
742.90
|
-0.1
|
9
|
14
|
236.06
|
11
|
|
|
(2S,3R,4S,5S,6R)-2-[(2R,3R,4R,5R,6R)-6-[[(3S,8S,9S,10R,13S,14S,16S,17R)-17-[(2S,3S,6S)-3,7-dihydroxy-6-methylheptan-2-yl]-10,13-dimethyl-16-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
891.00
|
-0.8
|
12
|
18
|
298.14
|
14
|
|
|
(2R,3R,4S,5S,6R)-2-[(2S,6S)-6-[(2R,3R,8S,9S,10R,13S,14S,17R)-3-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-2-methylheptoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
1245.40
|
-3.7
|
19
|
29
|
476.67
|
21
|
|
|
(3R,4S,5R)-4-hydroxy-4-[(E,3R)-3-hydroxybut-1-enyl]-3-(hydroxymethyl)-3,5-dimethylcyclohexan-1-one
|
242.31
|
0.2
|
3
|
4
|
77.76
|
3
|
|
|
[(1S,2R,4S,7S,8S,11R,12R,13S,18R,20R)-13-acetyloxy-7-(furan-3-yl)-1,8,12,17,17-pentamethyl-5,15-dioxo-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icosan-20-yl] acetate
|
558.60
|
3.5
|
0
|
10
|
130.87
|
5
|
|
|
[(1S,2R,4S,7S,8S,10S,11R,12R,13S,18R,20R)-10,13-diacetyloxy-7-(furan-3-yl)-1,8,12,17,17-pentamethyl-5,15-dioxo-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icosan-20-yl] acetate
|
616.70
|
2.9
|
0
|
12
|
157.17
|
7
|
|
|
1,1-Diethoxyoctane
|
202.33
|
4.2
|
0
|
2
|
18.46
|
10
|
|
|
(2R,3S,4R,6Ar,6bS,8aS,11R,12R,12aS,14bR)-2,3,12-trihydroxy-4,6a,6b,11,12,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid
|
518.70
|
4.2
|
5
|
7
|
135.29
|
2
|
|
|
(1S,2R,4R,9R,10S,12R,18S)-2,12,18-trihydroxy-5,5,9-trimethyl-14,19-dioxapentacyclo[10.6.1.01,10.04,9.013,17]nonadec-13(17)-en-15-one
|
364.40
|
0.9
|
3
|
6
|
96.22
|
0
|
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