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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(3S,8R,9S,10R,12R,13S,14S,17S)-17-acetyl-3,14-dihydroxy-10,13-dimethyl-15-oxo-2,3,4,7,8,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-12-yl] acetate
|
404.50
|
1.1
|
2
|
6
|
100.9
|
3
|
|
|
[(2R)-3-hexadecanoyloxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] octadecanoate
|
859.40
|
22.5
|
0
|
6
|
78.9
|
52
|
|
|
1-Stearoyl-2-palmitoyl-3-linoleoyl-glycerol
|
859.40
|
22.5
|
0
|
6
|
78.9
|
52
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8a-[(2S,3R,4S,5S)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxycarbonyl-8-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
|
1221.30
|
-0.4
|
15
|
27
|
429.89
|
13
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8a-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6S)-3-hydroxy-6-methyl-4,5-bis[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy]oxan-2-yl]oxyoxan-2-yl]oxycarbonyl-8-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
|
1191.30
|
-0.4
|
14
|
26
|
409.66
|
12
|
|
|
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[(1S,2S,4S,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]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
1000.20
|
-0.5
|
11
|
20
|
297.4
|
9
|
|
|
N-[(2S,3S,4R,5R,8R,9S,10R,13S,14S)-17-[(1S)-1-(dimethylamino)ethyl]-2,4-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-3-methylbut-2-enamide
|
458.70
|
4.4
|
3
|
4
|
72.8
|
4
|
|
|
[(4aR,6R,7R,8S,8aR)-2-(3,4-dihydroxyphenyl)-6-(hydroxymethyl)-8-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3,4a,6,7,8,8a-hexahydro-2H-pyrano[2,3-b][1,4]dioxin-7-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
636.60
|
-0.3
|
7
|
15
|
223.29
|
9
|
|
|
[(3S,4R,5R)-4-hydroxy-3-(hydroxymethyl)-5-(4-methoxyphenyl)-1,1-dimethylpyrrolidin-1-ium-3-yl] 3-methylbut-2-enoate
|
350.40
|
2
|
2
|
5
|
75.99
|
6
|
|
|
Octyl 2-benzamidoacetate
|
291.40
|
4.2
|
1
|
3
|
55.4
|
11
|
|
|
(2R,3R,4R,5S,6R)-2-[[(3S,7S,8R,9S,10S,13R,14S,17R)-3-hydroxy-17-[(E,2R)-6-methoxy-6-methylhept-4-en-2-yl]-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
634.90
|
5.2
|
5
|
8
|
128.84
|
8
|
|
|
Cnidimol A
|
276.28
|
2.4
|
3
|
5
|
90.9
|
3
|
|
|
methyl 2-[(1R,3S,7R,8R,9S,12S,13S)-13-(furan-3-yl)-6,6,8,12-tetramethyl-17-methylidene-5,15-dioxo-2,14-dioxatetracyclo[7.7.1.01,12.03,8]heptadecan-7-yl]acetate
|
470.60
|
2.7
|
0
|
7
|
92.04
|
4
|
|
|
(1R,9S,13R,21S)-7,17-dihydroxy-1-(5-hydroxy-2,2-dimethylchromen-8-yl)-11-methyl-2,20-dioxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,10,14(19),15,17-heptaene-5-carbaldehyde
|
524.60
|
5
|
3
|
7
|
105.45
|
2
|
|
|
(9S,10E,12S,13S,14E,16S)-9,12,13,16-tetrahydroxyoctadeca-10,14-dienoic acid
|
344.40
|
1.3
|
5
|
6
|
118.22
|
14
|
|
|
(9S,10E,12S,13S,14E,16R)-9,12,13,16-tetrahydroxyoctadeca-10,14-dienoic acid
|
344.40
|
1.3
|
5
|
6
|
118.22
|
14
|
|
|
(9S,10E,12S,13S,14E)-9,12,13-trihydroxy-16-oxooctadeca-10,14-dienoic acid
|
342.40
|
1.2
|
4
|
6
|
115.06
|
14
|
|
|
(9S,10E,12S,13S,15S,16E)-9,12,13,15-tetrahydroxyoctadeca-10,16-dienoic acid
|
344.40
|
1.4
|
5
|
6
|
118.22
|
14
|
|
|
(9S,13S,16S)-d10-12-PhytoF[12S,15S]
|
344.40
|
1.8
|
4
|
6
|
107.22
|
12
|
|
|
(Z)-1-[2,4-dihydroxy-6-methoxy-3-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)phenyl]-3-(2,4-dihydroxyphenyl)prop-2-en-1-one
|
438.50
|
6.5
|
4
|
6
|
107.22
|
9
|
|
|
[4-methoxy-2-[(E)-prop-1-enyl]phenyl] (2R)-2-methylbutanoate
|
248.32
|
4.1
|
0
|
3
|
35.53
|
6
|
|
|
(3S,4R)-4-(hydroxymethyl)-3-methyl-3,4,5,6-tetrahydro-1H-pyrano[3,4-c]pyran-8-one
|
198.22
|
-0.5
|
1
|
4
|
55.76
|
1
|
|
|
(1R,2S)-1-(4-hydroxy-3-methoxyphenyl)-2-[4-[(2R,3R)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2,6-dimethoxyphenoxy]propane-1,3-diol
|
586.60
|
2.2
|
5
|
11
|
156.53
|
14
|
|
|
3-[(3S,5R,8R,9R,10S,13R,14S,17R)-14-hydroxy-3-[(2R,3S,4S,5S,6S)-3-hydroxy-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-13-methyl-2,3,4,5,6,7,8,9,10,11,12,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
|
844.90
|
-2
|
9
|
18
|
272.98
|
10
|
|
|
(2S,3R,4S,5S,6R)-2-[[(2R,3R,6Z)-3-hydroxy-6-methoxyimino-2,3-dihydrothiopyran-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
337.35
|
-1.4
|
5
|
10
|
166.5
|
4
|
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