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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(4-Hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-yl) acetate
|
307.40
|
2.5
|
1
|
4
|
49.77
|
2
|
|
|
[(1R,2R,10S,11R,13S,15R)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-yl] acetate
|
291.40
|
3.4
|
0
|
3
|
29.54
|
2
|
|
|
15-Methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecane-11,12-diol
|
265.39
|
1.7
|
2
|
3
|
43.7
|
0
|
|
|
(1R,2R,10S,11S,12S,13R,15R)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecane-11,12-diol
|
265.39
|
1.7
|
2
|
3
|
43.7
|
0
|
|
|
(5R,8S,10S,13R,14S,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-5,5,6-trimethylhept-6-en-2-yl]-1,2,5,6,7,8,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
|
452.80
|
10.1
|
0
|
1
|
17.07
|
5
|
|
|
(5R,8S,10S,13R,14S,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-5,5,6-trimethylheptan-2-yl]-1,2,5,6,7,8,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
|
454.80
|
10
|
0
|
1
|
17.07
|
5
|
|
|
(1R,2S,3S,7S,8R,9S,12S,13R,14R,15R,16R)-3,8,14,15-tetrahydroxy-2,6,13,16-tetramethyl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadec-5-ene-4,11-dione
|
366.40
|
-0.6
|
4
|
7
|
124.29
|
0
|
|
|
Pasakbumin D
|
442.40
|
-3.7
|
7
|
11
|
194.21
|
1
|
|
|
(3S,3aR,4R,6aR,8S,9S,9aR,9bR)-4,8-dihydroxy-3,9-dimethyl-6-methylidene-3,3a,4,5,6a,7,8,9,9a,9b-decahydroazuleno[4,5-b]furan-2-one
|
266.33
|
1.2
|
2
|
4
|
66.76
|
0
|
|
|
(3R,3aR,4R,6aR,8S,9R,9aR,9bR)-4,8-dihydroxy-3,9-dimethyl-6-methylidene-3,3a,4,5,6a,7,8,9,9a,9b-decahydroazuleno[4,5-b]furan-2-one
|
266.33
|
1.2
|
2
|
4
|
66.76
|
0
|
|
|
Isolipidiol
|
266.33
|
1.2
|
2
|
4
|
66.76
|
0
|
|
|
(+)-Erysotramidine
|
327.40
|
1.5
|
0
|
4
|
48
|
3
|
|
|
Butanoic acid, 2-amino-4-(ethylseleno)-
|
210.14
|
|
2
|
3
|
63.32
|
5
|
|
|
Delcosin
|
453.60
|
-1.1
|
4
|
8
|
111.85
|
5
|
|
|
(3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methylhept-5-en-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
|
426.70
|
9.8
|
1
|
1
|
20.23
|
4
|
|
|
(2S,3S,4S,5R,6S)-6-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxane-2-carboxylic acid
|
622.50
|
-1.3
|
10
|
17
|
294.34
|
6
|
|
|
gamma-Campholenal
|
154.25
|
2.3
|
1
|
1
|
20.23
|
2
|
|
|
Eckol
|
372.30
|
2.5
|
6
|
9
|
149.07
|
2
|
|
|
(2R,3R,4R,5S,6S)-6-[(2S,3S,4R,5R,6R)-2-[[(3S,4aR,6aR,6bS,8aR,9R,11R,12aR,14aR,14bS)-9-acetyloxy-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
|
881.00
|
3
|
8
|
18
|
293.34
|
9
|
|
|
(2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6S)-6-carboxy-2-[[(1R,2S,5R,6S,9S,11R,14R,15S,19R,21R)-2,5,6,10,10,14,21-heptamethyl-16,22-dioxo-23-oxahexacyclo[19.3.1.02,19.05,18.06,15.09,14]pentacos-17-en-11-yl]oxy]-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
|
834.90
|
3.5
|
7
|
16
|
256.04
|
6
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3R,4aS,6aS,6bR,8aS,9S,11S,12aS,14aS,14bR)-9-acetyloxy-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
|
867.00
|
2.7
|
8
|
17
|
276.27
|
9
|
|
|
(2R,3R,4R,5S,6S)-5-[(2R,3R,4S,5S,6S)-6-carboxy-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-[[(1R,2S,5R,6S,9S,11R,14R,15S,19R,21R)-2,5,6,10,10,14,21-heptamethyl-16,22-dioxo-23-oxahexacyclo[19.3.1.02,19.05,18.06,15.09,14]pentacos-17-en-11-yl]oxy]-3,4-dihydroxyoxane-2-carboxylic acid
|
981.10
|
2.4
|
9
|
20
|
314.96
|
8
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3R,4aS,6aS,6bR,8aS,9S,11S,12aS,14aS,14bR)-9-acetyloxy-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-5-[(2S,3S,4R,5R,6R)-6-carboxy-4,5-dihydroxy-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
|
1027.10
|
1.9
|
10
|
22
|
352.26
|
11
|
|
|
(2S,3R,4S,5R,6R)-6-[(2S,3S,4R,5R,6R)-6-carboxy-2-[[(1R,2S,5R,6S,9S,11R,14R,15S,19R,21R)-2,5,6,10,10,14,21-heptamethyl-16,22-dioxo-23-oxahexacyclo[19.3.1.02,19.05,18.06,15.09,14]pentacos-17-en-11-yl]oxy]-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
|
834.90
|
3.5
|
7
|
16
|
256.04
|
6
|
|
|
[(2R,3S,4R,5S,6S)-2-[[(3R,5S,8S,9R,10S,13S,14R,17S)-10-formyl-14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-methoxy-6-methyl-5-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-3-yl] acetate
|
915.00
|
-2.4
|
8
|
20
|
296.12
|
13
|
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