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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Cinnamyl 6-O-beta-D-xylopyranosyl-beta-D-glucopyranoside
|
428.40
|
-2
|
6
|
10
|
158.3
|
7
|
|
|
(E)-N-[(3S,5S,8R,9S,10S,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-N,3,4-trimethylpent-2-enamide
|
470.80
|
8.3
|
0
|
2
|
23.55
|
5
|
|
|
Oleanderolide
|
472.70
|
6.4
|
2
|
4
|
66.76
|
0
|
|
|
(2S,3R,4S,5R,6S)-2-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-hydroxy-5-methyl-2-propan-2-ylphenoxy)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
474.50
|
-0.2
|
7
|
11
|
178.53
|
6
|
|
|
tanariflavanone B
|
490.60
|
7.2
|
3
|
6
|
96.22
|
6
|
|
|
[(2R,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
492.50
|
1.5
|
6
|
11
|
175.37
|
10
|
|
|
(4aS,6aR,6bS,8aR,10S,12aS,14bR)-10-acetyloxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,14b-dodecahydropicene-4a-carboxylic acid
|
496.70
|
7.8
|
1
|
4
|
63.6
|
3
|
|
|
Lycernuic acid D
|
506.70
|
5.2
|
5
|
6
|
118.22
|
1
|
|
|
(2S,10R,11R,18R)-2-hydroxy-4,6-dimethoxy-10-(4-methoxyphenyl)-11-phenyl-9-oxa-14,19-diazapentacyclo[10.7.0.02,10.03,8.014,18]nonadeca-1(12),3(8),4,6-tetraen-13-one
|
526.60
|
3.5
|
2
|
7
|
89.49
|
5
|
|
|
Eryvarinol B
|
538.60
|
5.4
|
4
|
9
|
134.91
|
12
|
|
|
2-[4-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxyphenyl]-5-hydroxy-7-methoxychromen-4-one
|
592.50
|
0.1
|
7
|
14
|
217.97
|
7
|
|
|
Gigantetrocin A
|
596.90
|
8.8
|
4
|
7
|
116.45
|
26
|
|
|
(3S,3aR,5R,8R,8aS)-8-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,8-dihydroxy-3-methyl-5-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-3a,4,5,6,7,8a-hexahydro-1H-azulen-2-one
|
610.60
|
-3.5
|
10
|
15
|
256.29
|
9
|
|
|
(6R)-6-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxyoct-7-enoic acid
|
614.60
|
-4.5
|
10
|
17
|
274.75
|
14
|
|
|
Khayanoside
|
648.70
|
1.4
|
4
|
13
|
194.72
|
8
|
|
|
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxyoxan-2-yl]methyl 4-hydroxy-3-methoxybenzoate
|
672.60
|
2.1
|
6
|
16
|
233.27
|
11
|
|
|
[(2R,4R,4aS,4bS,5R,6S,7S,8aS,10R,10aR)-7,10-diacetyloxy-5-benzoyloxy-2-ethenyl-6,10a-dihydroxy-4b-(hydroxymethyl)-2,8,8-trimethyl-1-oxo-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-4-yl] benzoate
|
692.70
|
4.1
|
3
|
12
|
182.96
|
12
|
|
|
(2S,3R,4S,5R)-2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-[(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S,18S,19S)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-19-yl]oxy-6-methyloxan-4-yl]oxyoxane-3,4,5-triol
|
710.90
|
2.5
|
6
|
12
|
176.76
|
4
|
|
|
[(1S,2S,4S,5R,6S,7R,8S,9R,12R)-8,12-diacetyloxy-5,7-dibenzoyloxy-2-hydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-4-yl] benzoate
|
714.80
|
5.5
|
1
|
12
|
160.96
|
13
|
|
|
[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2S,3S,4R,5R)-4-hydroxy-3-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
724.70
|
-0.5
|
8
|
18
|
269.82
|
16
|
|
|
5-(Acetylamino)-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide
|
747.06
|
-2.3
|
7
|
7
|
168.22
|
9
|
|
|
[(2R,3R,4R,5R,6R)-6-[(R)-cyano(phenyl)methoxy]-5-hydroxy-3,4-bis[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
|
751.60
|
2.4
|
10
|
19
|
323.45
|
13
|
|
|
CID 11115444
|
801.00
|
2.7
|
10
|
14
|
239.22
|
10
|
|
|
[(1R,3R,8S,9S,10R,13S,14S,16S,17R)-17-acetyl-1-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl] 4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]pent-4-enoate
|
901.00
|
-1.3
|
10
|
19
|
301.05
|
14
|
|
|
1-[(3S,8R,9S,10R,13S,14S)-3-[(2R,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
|
931.00
|
-1.5
|
11
|
20
|
313.44
|
11
|
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