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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
All-trans-3,4-didehydrolycopene
|
534.90
|
15.6
|
0
|
0
|
0
|
15
|
|
|
Parasiloxanthin
|
570.90
|
10.9
|
2
|
2
|
40.46
|
11
|
|
|
Phoenicoxanthin
|
580.80
|
10.8
|
1
|
3
|
54.37
|
10
|
|
|
3'-Hydroxyechinenone
|
566.90
|
11.1
|
1
|
2
|
37.3
|
10
|
|
|
Asymmetrical zeta-carotene/Asym. zeta-carotene/7,8,11,12-Tetrahydrolycopene
|
540.90
|
15.5
|
0
|
0
|
0
|
18
|
|
|
Loroxanthin
|
584.90
|
9.8
|
3
|
3
|
60.69
|
11
|
|
|
1'-OH-gamma-carotene glucoside/(Carotenoids B-G)
|
717.00
|
11.7
|
4
|
6
|
99.38
|
17
|
|
|
Micromonal
|
584.90
|
9.8
|
2
|
3
|
57.53
|
12
|
|
|
5alpha-Campestan-3-one
|
400.70
|
9.2
|
0
|
1
|
17.07
|
5
|
|
|
6-Deoxocathasterone
|
418.70
|
8.3
|
2
|
2
|
40.46
|
5
|
|
|
3-Dehydro-6-deoxoteasterone
|
432.70
|
6.9
|
2
|
3
|
57.53
|
5
|
|
|
6-Deoxotyphasterol
|
434.70
|
7.3
|
3
|
3
|
60.69
|
5
|
|
|
6-Oxocampestanol
|
416.70
|
8
|
1
|
2
|
37.3
|
5
|
|
|
6alpha-Hydroxycampestanol
|
418.70
|
8.3
|
2
|
2
|
40.46
|
5
|
|
|
(22R,25R)-spirosol-5-en-3beta-ol
|
413.60
|
5.4
|
2
|
3
|
41.49
|
0
|
|
|
Orotidine-5'-monophosphate
|
368.19
|
-4.2
|
6
|
11
|
218.42
|
5
|
|
|
Teupolioside
|
786.70
|
-2.1
|
12
|
20
|
324.44
|
14
|
|
|
[(2R,3S,4S,5R,6S)-3,4-dihydroxy-6-[7-hydroxy-2-(4-hydroxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxy-5-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
|
1096.00
|
|
14
|
25
|
411.73
|
19
|
|
|
Vaginol
|
262.26
|
1.4
|
2
|
5
|
79.9
|
1
|
|
|
(1S,2S,4R,6S,7S)-7-bromo-4-[(1S)-1-bromopropyl]-2-[(Z)-pent-2-en-4-ynyl]-3,9-dioxabicyclo[4.2.1]nonane
|
392.13
|
4.2
|
0
|
2
|
18.46
|
4
|
|
|
Macarangioside A
|
540.60
|
-0.2
|
7
|
12
|
203.44
|
9
|
|
|
(1R,2R,4aR,5S,8aS)-5-(hydroxymethyl)-2,5,8a-trimethyl-1-[(2Z)-3-methylpenta-2,4-dienyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
|
306.50
|
5
|
2
|
2
|
40.46
|
4
|
|
|
Allocholic acid
|
408.60
|
3.6
|
4
|
5
|
97.99
|
4
|
|
|
Vanillactic acid
|
212.20
|
0.1
|
3
|
5
|
86.99
|
4
|
|
|
3-Hydroxytetradecanoic acid
|
244.37
|
4.7
|
2
|
3
|
57.53
|
12
|
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