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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Oleaside A
|
516.70
|
3.6
|
1
|
7
|
91.29
|
4
|
|
|
8-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
|
414.40
|
2
|
4
|
8
|
129.59
|
3
|
|
|
(3R,4R,4aS)-4-ethenyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-8-one
|
358.34
|
-0.9
|
4
|
9
|
134.91
|
4
|
|
|
(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-ol
|
416.60
|
6.5
|
1
|
3
|
38.69
|
0
|
|
|
(1aR,4S,4aS,7R,7aR,7bS)-1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-ol
|
222.37
|
3.7
|
1
|
1
|
20.23
|
0
|
|
|
(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18S)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one
|
430.60
|
4.8
|
1
|
4
|
55.76
|
0
|
|
|
(4aR,5R,6aS,6aS,6bR,8aS,10S,12aR,14bR)-5,10-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
472.70
|
6.9
|
3
|
4
|
77.76
|
1
|
|
|
[(1S,3R)-1-[(2R)-3,3-dimethyloxiran-2-yl]-3-[(5S,8S,9S,10S,11S,14R)-11-hydroxy-4,4,8,10,14-pentamethyl-3-oxo-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-17-yl]butyl] acetate
|
514.70
|
5.4
|
1
|
5
|
76.13
|
6
|
|
|
[(3R,4S,6R)-2,4-dihydroxy-6-[(5S,8S,9S,10S,11S,14R)-11-hydroxy-4,4,8,10,14-pentamethyl-3-oxo-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptan-3-yl] acetate
|
532.80
|
4.4
|
3
|
6
|
104.06
|
7
|
|
|
(3S,4R,4aS,6aS,6aS,6bR,8aR,12aS,14aS,14bS)-4,4a,6a,6b,8a,11,11,14a-octamethyl-1,2,3,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-hexadecahydropicen-3-ol
|
428.70
|
10.1
|
1
|
1
|
20.23
|
0
|
|
|
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13S,14R,17S)-3,12-dihydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
801.00
|
2.7
|
10
|
14
|
239.22
|
10
|
|
|
(3S,5S,8S,9S,10S,13R,14S,17R)-3-[(2R,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
|
534.60
|
0.3
|
4
|
9
|
142.75
|
4
|
|
|
(6aS,8R,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-1,8-diol
|
330.50
|
5.9
|
2
|
3
|
49.69
|
4
|
|
|
(2R,4aS,6aR,6aS,14aS,14bS)-9-formyl-10,11-dihydroxy-2,4a,6a,6a,14a-pentamethyl-8-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylic acid
|
480.60
|
6.2
|
3
|
6
|
111.9
|
2
|
|
|
(2S,4aR,4bS,8S,8aR,10aS)-4b,8-dimethyl-2-propan-2-yl-2,3,4,4a,5,6,7,8,8a,9,10,10a-dodecahydro-1H-phenanthrene
|
262.50
|
7.7
|
0
|
0
|
0
|
1
|
|
|
(2S,3R,4S,5S,6R)-2-[(2S)-2-[(3S,5R,8R,9R,10R,12R,13S,14R,17S)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-en-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
622.90
|
5.6
|
6
|
8
|
139.84
|
7
|
|
|
(2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3-dihydrochromen-4-one
|
450.40
|
0.4
|
7
|
11
|
186.37
|
3
|
|
|
(2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
868.10
|
1.1
|
9
|
16
|
238.48
|
7
|
|
|
sec-Butyl butyrate
|
144.21
|
2.5
|
0
|
2
|
26.3
|
5
|
|
|
D-glycero-D-gulo-heptopyranose
|
210.18
|
-3.2
|
6
|
7
|
130.61
|
2
|
|
|
5-Decanone
|
156.26
|
3.2
|
0
|
1
|
17.07
|
7
|
|
|
Gitalin (amorphous)
|
700.80
|
-3.1
|
10
|
11
|
301.24
|
22
|
|
|
Kutkin
|
496.50
|
|
6
|
12
|
214.98
|
9
|
|
|
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 3-methoxy-4-[(E)-3-phenylprop-2-enoyl]oxybenzoate
|
460.40
|
1.5
|
4
|
10
|
151.98
|
9
|
|
|
1-Palmitoyl-2-palmitoyl-3-arachidonyl-glycerol
|
863.40
|
24.1
|
0
|
6
|
78.9
|
54
|
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