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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-[3-hydroxy-4-[(E)-2-propanoyloxyethenoxy]phenyl]-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate
|
714.60
|
2.2
|
9
|
18
|
292.57
|
12
|
|
|
1,24-Tetracosanediol diferulate
|
723.00
|
14.6
|
2
|
8
|
111.52
|
33
|
|
|
methyl (2E,4E,7S)-7-hydroxy-4-methyl-8-[(2S,6R)-2-[(2S,3S,4S,6R,7S,8S,9S,10S,11S)-4,6,8,10-tetrahydroxy-2-methoxy-13-[(2S,4R,6S)-4-methoxy-6-methyloxan-2-yl]-3,7,9,11-tetramethyltridecyl]-3,6-dihydro-2H-pyran-6-yl]octa-2,4-dienoate
|
727.00
|
5.3
|
5
|
11
|
164.37
|
23
|
|
|
[(1S,2S,3aR,4S,5S,6E,9S,10R,11R,12S,13E)-3a,4,9,10-tetraacetyloxy-11-benzoyloxy-12-hydroxy-2,5,8,8,12-pentamethyl-1,2,3,4,5,9,10,11-octahydrocyclopenta[12]annulen-1-yl] benzoate
|
762.80
|
5.7
|
1
|
13
|
178.03
|
14
|
|
|
[(2R,3R,4R,5R,6R)-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
770.70
|
-1.7
|
10
|
19
|
293.21
|
14
|
|
|
(1S,2S,4S,7S,8R,9S,12S,13R,15R,16R)-16-[(2R,3R,4R,5R,6R)-5-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-15-hydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-6-one
|
1141.20
|
-5.1
|
16
|
28
|
442.28
|
14
|
|
|
3-[(3R,5R,10S,13R,14S,17R)-3-[(2R,5R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
|
534.70
|
2.1
|
3
|
8
|
114.68
|
4
|
|
|
3-[(3R,5R,10S,13R,14S,17R)-3-[(2R,5S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14,16-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
|
550.70
|
1.3
|
4
|
9
|
134.91
|
4
|
|
|
CID 11967819
|
698.80
|
-0.5
|
8
|
14
|
225.06
|
7
|
|
|
3-[(3R,5R,10S,13R,14S,17R)-14-hydroxy-3-[(2R,5R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
|
518.70
|
3
|
2
|
7
|
94.45
|
4
|
|
|
3-[(3R,5R,10S,11R,13R,14S,17R)-11,14-dihydroxy-3-[(2R,5R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
|
534.70
|
1.9
|
3
|
8
|
114.68
|
4
|
|
|
ortho-Hydroxycinnamic acid
|
164.16
|
1.5
|
2
|
3
|
57.53
|
2
|
|
|
[(1R,2S,4S,5S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate
|
303.35
|
0.9
|
1
|
5
|
62.3
|
5
|
|
|
CID 11968069
|
910.80
|
-2
|
15
|
22
|
407.26
|
10
|
|
|
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[5-hydroxy-7-(hydroxymethyl)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl]oxy]oxan-2-yl]methoxy]oxane-3,4,5-triol
|
510.50
|
-4.3
|
9
|
14
|
228.22
|
7
|
|
|
(2S,4aS,6bR,12aS)-10-[(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]oxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
|
795.00
|
3.2
|
8
|
14
|
232.9
|
7
|
|
|
(2S,4aS,6bR,12aS)-10-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
|
795.00
|
3.2
|
8
|
14
|
232.9
|
7
|
|
|
Gal(b1-6)Gal(a1-6)Gal(b1-6)Glc(a1-2b)Fruf
|
828.70
|
-10.1
|
17
|
26
|
426.98
|
14
|
|
|
2,4-diamino-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydro-1H-pyrimidin-6-one
|
306.27
|
-4.6
|
7
|
9
|
192.88
|
3
|
|
|
7-methyl-4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[c]pyran-1-one
|
346.37
|
-0.3
|
4
|
8
|
125.68
|
4
|
|
|
(2S,3R,4S,5R)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,4R,6aR,6bS,8R,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]-3,5-dihydroxy-6-methyloxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
|
913.10
|
1
|
11
|
17
|
277.91
|
9
|
|
|
(2S,3R,4S,5R)-2-[(9S,13S,15S,18R)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-15-yl]oxyoxane-3,4,5-triol
|
564.70
|
4
|
4
|
8
|
117.84
|
2
|
|
|
Glc(b1-2)[Glc(b1-3)]Glc(b)-O-Bn
|
594.60
|
-3.9
|
10
|
16
|
257.68
|
10
|
|
|
(3R,4R,5S)-14'-[(2S,3R,4S,5R)-5-hydroxy-3-[(2S,3R,4R,5S,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-5,7',9',13'-tetramethylspiro[oxane-2,6'-pentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene]-3,4,16'-triol
|
871.00
|
-0.6
|
10
|
17
|
266.91
|
6
|
|
|
[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aS,6bR,9R,10S,12aR)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
1075.20
|
-0.9
|
13
|
22
|
353.9
|
12
|
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