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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
1'-[1,2-Dieicosanoyl-sn-glycero-3-phospho],3'-[1-hexadecanoyl-2-eicosanoyl-sn-glycero-3-phospho]-sn-glycerol
|
1522.20
|
32.6
|
3
|
17
|
256.57
|
90
|
|
|
[(2R)-3-[[(2S)-3-[[(2R)-2,3-di(octadecanoyloxy)propoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-icosanoyloxypropyl] icosanoate
|
1522.20
|
32.6
|
3
|
17
|
256.57
|
90
|
|
|
1'-[1,2-dieicosanoyl-sn-glycero-3-phospho],3'-[1-octadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho]-sn-glycerol
|
1520.10
|
31.7
|
3
|
17
|
256.57
|
89
|
|
|
1'-[1,2-dieicosanoyl-sn-glycero-3-phospho],3'-[1-octadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho]-sn-glycerol
|
1518.10
|
31
|
3
|
17
|
256.57
|
88
|
|
|
1'-[1,2-Dieicosanoyl-sn-glycero-3-phospho],3'-[1-octadecanoyl-2-eicosanoyl-sn-glycero-3-phospho]-sn-glycerol
|
1550.20
|
33.7
|
3
|
17
|
256.57
|
92
|
|
|
[(2R)-3-[[(2R)-3-[[(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-icosanoyloxypropyl] icosanoate
|
1518.10
|
30.8
|
3
|
17
|
256.57
|
88
|
|
|
1'-[1,2-dieicosanoyl-sn-glycero-3-phospho],3'-[1-(9Z-octadecenoyl)-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho]-sn-glycerol
|
1516.10
|
30.1
|
3
|
17
|
256.57
|
87
|
|
|
1'-[1,2-dieicosanoyl-sn-glycero-3-phospho],3'-[1-(9Z-octadecenoyl)-2-eicosanoyl-sn-glycero-3-phospho]-sn-glycerol
|
1548.20
|
32.8
|
3
|
17
|
256.57
|
91
|
|
|
CL(1'-[20:0/20:0],3'-[18:2(9Z,12Z)/18:2(9Z,12Z)])
|
1514.10
|
29.4
|
3
|
17
|
256.57
|
86
|
|
|
1'-[1,2-dieicosanoyl-sn-glycero-3-phospho],3'-[1-(9Z,12Z-octadecadienoyl)-2-eicosanoyl-sn-glycero-3-phospho]-sn-glycerol
|
1546.20
|
32.1
|
3
|
17
|
256.57
|
90
|
|
|
1',3'-Bis-[1,2-dieicosanoyl-sn-glycero-3-phospho]-sn-glycerol
|
1578.30
|
34.8
|
3
|
17
|
256.57
|
94
|
|
|
(1R,3R,4S,5S)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid
|
354.31
|
-0.4
|
6
|
9
|
164.75
|
5
|
|
|
(3S,5S,8S,9S,10S,13R,14S,17R)-3,5,14-trihydroxy-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
|
404.50
|
0.6
|
3
|
6
|
104.06
|
2
|
|
|
(4R,4aS,6aR,6aS,6bR,8aR,12aS,14aS,14bR)-4,4a,6a,6b,8a,11,11,14a-octamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one
|
426.70
|
9.8
|
0
|
1
|
17.07
|
0
|
|
|
(4R,4aS,6aS,6aS,6bR,8aR,12aS,14aS,14bR)-4,4a,6a,6b,8a,11,11,14a-octamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one
|
426.70
|
9.8
|
0
|
1
|
17.07
|
0
|
|
|
3-[(3S,5R,8R,9R,10S,13R,14S,16S,17R)-3,14,16-trihydroxy-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
|
390.50
|
1.6
|
3
|
5
|
86.99
|
1
|
|
|
(3S,8R,9R,10R,13R,14R,17R)-17-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
414.70
|
9.3
|
1
|
1
|
20.23
|
6
|
|
|
(3S,8R,9R,10R,13R,14R,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
414.70
|
9.3
|
1
|
1
|
20.23
|
6
|
|
|
(1R,3aS,5aR,5bR,7aR,9S,11aR,11bS,13aR,13bR)-3a-(hydroxymethyl)-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]chrysen-9-ol
|
442.70
|
8.3
|
2
|
2
|
40.46
|
2
|
|
|
(3S,8R,9R,10R,13R,14R,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
412.70
|
8.6
|
1
|
1
|
20.23
|
5
|
|
|
Syriogenin
|
390.50
|
1.1
|
3
|
5
|
86.99
|
1
|
|
|
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[[(3R,6R,8R,10R,12S,13S,14S,17S)-3,12-dihydroxy-17-[(2R)-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-methyloxane-3,4,5-triol
|
785.00
|
3.2
|
9
|
13
|
218.99
|
9
|
|
|
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-2-[[(3R,8R,10R,12S,13S,14S,17S)-12-hydroxy-17-[(2R)-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-3-yl]oxy]-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
785.00
|
4
|
9
|
13
|
218.99
|
10
|
|
|
5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
|
578.50
|
-0.1
|
8
|
14
|
228.97
|
5
|
|
|
3-((2,6-Dideoxy-3beta-O-methyl-lyxo-hexopyranosyl)oxy)-12alpha,20-epoxy-2beta-hydroxy-14beta,17alpha-pregn-5-ene-11,15-dione
|
504.60
|
1.2
|
2
|
8
|
111.52
|
3
|
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