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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)-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] (2R,4aR,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(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-2-formyl-2,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
1219.40
|
-2.5
|
14
|
26
|
409.66
|
14
|
|
|
[(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] (2R,4aR,6aR,6aS,6bR,8aR,10S,12aR,14bS)-2-formyl-2,6a,6b,9,9,12a-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
|
1073.20
|
-1.4
|
12
|
22
|
350.74
|
12
|
|
|
(1R,3aS,5aR,5bR,7aR,9R,10R,11aR,11bR,13aR,13bR)-9-hydroxy-10-[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
|
618.80
|
9.5
|
3
|
6
|
104.06
|
6
|
|
|
3-O-protocatechuoyl ceanothic acid 2-methyl ester
|
636.80
|
8.9
|
3
|
8
|
130.36
|
7
|
|
|
3-O-vanilloyl epiceanothic acid
|
636.80
|
8.9
|
3
|
8
|
130.36
|
7
|
|
|
(1R,2R,5S,8R,9R,10R,13R,14R,15R,16S,18R)-16-(4-hydroxy-3-methoxybenzoyl)oxy-15-methoxycarbonyl-1,2,14,17,17-pentamethyl-8-prop-1-en-2-ylpentacyclo[11.7.0.02,10.05,9.014,18]icosane-5-carboxylic acid
|
650.80
|
9.2
|
2
|
8
|
119.36
|
8
|
|
|
(1R,3aS,5aR,5bR,7aR,9R,10R,11aR,11bR,13aR,13bR)-9-hydroxy-10-(4-hydroxybenzoyl)oxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
|
592.80
|
9.1
|
3
|
6
|
104.06
|
5
|
|
|
(1S,2R,5S,8S,9S,10R,13R,14R,15R,18S)-2,6,6,9-tetramethyl-15-prop-1-en-2-ylpentacyclo[11.7.0.02,10.05,9.014,18]icosane-1,8,18-tricarboxylic acid
|
500.70
|
6.5
|
3
|
6
|
111.9
|
4
|
|
|
1-[3-[[(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]methyl]-2,4-dihydroxy-6-methoxy-5-methylphenyl]-2-methylpropan-1-one
|
814.80
|
5.2
|
12
|
16
|
287.52
|
8
|
|
|
1-[3-[[(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]methyl]-2,4-dihydroxy-6-methoxy-5-methylphenyl]butan-1-one
|
814.80
|
5
|
12
|
16
|
287.52
|
9
|
|
|
(3R,4R,5S,6S)-6-[(3S,8R,9R,10S,13R,14S,17R)-3-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptane-2,3,4,5-tetrol
|
949.10
|
-0.5
|
13
|
19
|
318.37
|
13
|
|
|
(2S)-2-hydroxy-5-(2-hydroxyethyl)-4-(hydroxymethyl)-2,6-dimethylindene-1,3-dione
|
264.27
|
0.1
|
3
|
5
|
94.83
|
3
|
|
|
(2R,3S)-3-hydroxy-6-(2-hydroxyethyl)-7-(hydroxymethyl)-2,5-dimethyl-2,3-dihydroinden-1-one
|
250.29
|
0.2
|
3
|
4
|
77.76
|
3
|
|
|
(2R,3S)-3-hydroxy-6-(2-hydroxyethyl)-5-(hydroxymethyl)-2,7-dimethyl-2,3-dihydroinden-1-one
|
250.29
|
0.2
|
3
|
4
|
77.76
|
3
|
|
|
(E,R)-alpha-bisabolene
|
204.35
|
5.2
|
0
|
0
|
0
|
3
|
|
|
(2S,3S)-2-[[2-[(1R,2R)-2-[(Z)-5-hydroxypent-2-enyl]-3-oxocyclopentyl]acetyl]amino]-3-methylpentanoic acid
|
339.40
|
1.4
|
3
|
5
|
103.7
|
10
|
|
|
(3S,5S,8R,9R,10R,12R,13R,14R,17S)-17-[(2S,5S)-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]phenanthrene-3,12-diol
|
476.70
|
5.9
|
3
|
4
|
69.92
|
2
|
|
|
[(2R,3S,4S,5R,6S)-6-(2,4-dihydroxy-6-methoxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl 4-hydroxy-3,5-dimethoxybenzoate
|
498.40
|
0.3
|
6
|
13
|
193.83
|
9
|
|
|
(E)-1-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-(2,4-dihydroxyphenyl)prop-2-en-1-one
|
370.40
|
4.7
|
4
|
6
|
107.22
|
6
|
|
|
(1S,2S,5R,6R,10S,11R,12S,14S)-6,10-dimethyl-5-[(1S)-1-[(1S,3R,5R)-1,5,6,6-tetramethyl-2,7,8-trioxabicyclo[3.2.1]octan-3-yl]ethyl]spiro[13-oxatetracyclo[7.5.0.02,6.012,14]tetradec-8-ene-11,5'-oxolane]-2'-one
|
486.60
|
4.3
|
0
|
6
|
66.52
|
2
|
|
|
(1R,2S,5R,6R,9S,10S,11R,12S,14S)-9-hydroxy-6,10-dimethyl-5-[(1S)-1-[(1S,3R,5R)-1,5,6,6-tetramethyl-2,7,8-trioxabicyclo[3.2.1]octan-3-yl]ethyl]spiro[13-oxatetracyclo[7.5.0.02,6.012,14]tetradec-7-ene-11,5'-oxolane]-2'-one
|
502.60
|
3.9
|
1
|
7
|
86.75
|
2
|
|
|
3-[[(1S,4S,6S,8aS)-4,8a-dimethyl-6-prop-1-en-2-yl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-2,4,6-trihydroxy-5-(3-methylbutanoyl)benzaldehyde
|
454.60
|
7.7
|
3
|
5
|
94.83
|
7
|
|
|
(1S,19S)-5,6,14,15-tetramethoxy-1-methyl-17-oxa-9-azapentacyclo[10.6.2.02,7.09,19.016,20]icosa-2(7),3,5,12,14,16(20)-hexaene
|
397.50
|
3.3
|
0
|
6
|
49.39
|
4
|
|
|
Miscanthoside
|
450.40
|
0.2
|
7
|
11
|
186.37
|
4
|
|
|
Eriodictyol-7-O-glucoside
|
450.40
|
0.2
|
7
|
11
|
186.37
|
4
|
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