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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(2S,3R,4R,5R,6S)-2-[(2R,3S,4R,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,8S,8aS,14aR,14bS)-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicen-3-yl]oxy]-4,5-dihydroxy-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
943.10
|
0.4
|
12
|
18
|
298.14
|
10
|
|
|
(1S,2R,3R,4S,5S,6S,8R,9R,10S,13S,16S,17R)-11-ethyl-6-methoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,9,16-tetrol
|
423.50
|
-0.7
|
4
|
7
|
102.62
|
4
|
|
|
Acetylvirescenine
|
465.60
|
-0.1
|
3
|
8
|
108.69
|
6
|
|
|
Terpendole M
|
535.70
|
4
|
3
|
6
|
96.47
|
1
|
|
|
3-[(2R,3R,4aR,6R,7S,8S)-2-(3,4-dihydroxyphenyl)-7,8-dihydroxy-6-(hydroxymethyl)-3,4a,6,7,8,8a-hexahydro-2H-pyrano[2,3-b][1,4]dioxin-3-yl]-1-(3,4-dihydroxyphenyl)propan-1-one
|
478.40
|
0.1
|
7
|
11
|
186.37
|
6
|
|
|
(4R,5R)-1,5-bis(3,4-dimethoxyphenyl)-5-hydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentan-1-one
|
552.60
|
0.4
|
5
|
12
|
173.6
|
13
|
|
|
(4R,5S)-1,5-bis(3,4-dimethoxyphenyl)-5-hydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentan-1-one
|
552.60
|
0.4
|
5
|
12
|
173.6
|
13
|
|
|
(4R,5R)-1,5-bis(3,4-dimethoxyphenyl)-5-methoxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentan-1-one
|
566.60
|
1
|
4
|
12
|
162.6
|
14
|
|
|
(4R,5S)-1,5-bis(3,4-dimethoxyphenyl)-5-methoxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentan-1-one
|
566.60
|
1
|
4
|
12
|
162.6
|
14
|
|
|
[(1S,2S,5R,6R,7S,8S,10S,11R,13R)-10-hydroxy-12,12-dimethyl-9,16-dioxospiro[14-oxapentacyclo[11.2.2.15,8.01,11.02,8]octadecane-6,2'-oxirane]-7-yl] acetate
|
404.50
|
0.2
|
1
|
7
|
102.43
|
2
|
|
|
[(1S,2S,5R,7R,8S,9R,10S,11R,15S)-9-acetyloxy-10,15-dihydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-yl] acetate
|
434.50
|
1.9
|
2
|
7
|
102.29
|
4
|
|
|
[(2R,4R,4aS,4bS,5R,6S,7S,8aS,10R,10aR)-7,10-diacetyloxy-5,6-dibenzoyloxy-2-ethenyl-10a-hydroxy-2,4b,8,8-tetramethyl-1-oxo-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-4-yl] benzoate
|
780.90
|
7.5
|
1
|
12
|
168.8
|
14
|
|
|
(2R,3R,4S,5S,6R)-2-[(1R,2S)-1,5-bis(3,4-dihydroxyphenyl)-1-hydroxypent-4-yn-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
478.40
|
-0.2
|
9
|
11
|
200.53
|
7
|
|
|
Pilosidine
|
478.40
|
0.1
|
7
|
11
|
186.37
|
6
|
|
|
(1R,2R,4aR,5S,8aR)-2-acetyloxy-1,4a-dimethyl-6-methylidene-5-(3-methylidenepent-4-enyl)-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
|
360.50
|
5.3
|
1
|
4
|
63.6
|
7
|
|
|
Norecasantalic acid
|
180.24
|
2.2
|
1
|
2
|
37.3
|
2
|
|
|
(1S,3R,8R,11S,12S,15R,16R)-15-[(2R,6S)-7-hydroxy-6-methyl-5-methylideneheptan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one
|
454.70
|
8.8
|
1
|
2
|
37.3
|
6
|
|
|
(E,4R,6R)-4-hydroxy-6-[(1S,3R,6S,8R,11S,12S,15R,16R)-6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-2-methylhept-2-enoic acid
|
472.70
|
7.2
|
3
|
4
|
77.76
|
5
|
|
|
(E,4S,6R)-4-hydroxy-6-[(1S,3R,6S,8R,11S,12S,15R,16R)-6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-2-methylhept-2-enoic acid
|
472.70
|
7.2
|
3
|
4
|
77.76
|
5
|
|
|
[(10S,13S)-5-[(3R)-3,7-dimethylocta-1,6-dien-3-yl]-9-methyl-11-oxo-10-propan-2-yl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1,4,6,8(15)-tetraen-13-yl]methyl acetate
|
479.70
|
6.8
|
2
|
4
|
74.43
|
9
|
|
|
1-Hydroxy-6,7-dimethoxy-2-methylanthracene-9,10-dione
|
298.29
|
3.4
|
1
|
5
|
72.83
|
2
|
|
|
Saponarioside C
|
1267.40
|
-3
|
17
|
29
|
470.35
|
16
|
|
|
(3S,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-[(2S,3R,4S,5R,6R)-6-[[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxycarbonyl-4,6a,6b,11,11,14b-hexamethyl-3-[(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-tetradecahydropicene-4-carboxylic acid
|
1267.40
|
-2.5
|
17
|
29
|
470.35
|
16
|
|
|
(3S,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-[(2S,3R,4S,5R,6R)-6-[[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxycarbonyl-4,6a,6b,11,11,14b-hexamethyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
|
1297.40
|
-2.5
|
18
|
30
|
490.58
|
17
|
|
|
(3S,4S,4aR,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8a-[(2S,3R,4S,5R,6R)-6-[[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxycarbonyl-8-hydroxy-4,6a,6b,11,11,14b-hexamethyl-3-[(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-tetradecahydropicene-4-carboxylic acid
|
1283.40
|
-3.1
|
18
|
30
|
490.58
|
16
|
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