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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-4-oxo-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-7-yl]oxyoxan-2-yl]methoxy]propanoic acid
|
680.60
|
-1.2
|
9
|
18
|
292.57
|
11
|
|
|
3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]propanoic acid
|
548.40
|
0.6
|
6
|
14
|
222.65
|
9
|
|
|
3-[[(2R,3S,4S,5R,6S)-6-[4-(5,7-dihydroxy-4-oxochromen-3-yl)phenoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid
|
518.40
|
0.6
|
6
|
13
|
213.42
|
8
|
|
|
(1S,2R,3R,5R,7R,10S,11R,14R,15S)-15-[(2R)-2-[(2S)-3,3-dimethyloxiran-2-yl]-2,3-dihydrofuran-4-yl]-2,6,6,10-tetramethylpentacyclo[12.3.1.01,14.02,11.05,10]octadecane-3,7-diol
|
470.70
|
5.4
|
2
|
4
|
62.22
|
2
|
|
|
TG(18:1(9Z)/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))
|
877.40
|
19.6
|
0
|
6
|
78.9
|
49
|
|
|
[(1R,4aS,5R,8aR)-1,4a-dimethyl-6-methylidene-5-[2-(5-oxo-2H-furan-4-yl)ethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl acetate
|
360.50
|
4.8
|
0
|
4
|
52.6
|
6
|
|
|
(17R,19S,22R,24R)-17,21,21-trimethyl-4-(3-methylbut-2-enyl)-8,16,20,23-tetraoxahexacyclo[13.10.0.02,7.09,14.017,24.019,22]pentacosa-1(15),2(7),3,5,9(14),10,12-heptaene-5,11-diol
|
476.60
|
5.1
|
2
|
6
|
77.38
|
2
|
|
|
(3R,3aR,5aR,5bR,7S,7aS,11aS,13aS,13bR)-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,7a,9,10,11,13,13b-tetradecahydrocyclopenta[a]chrysen-7-ol
|
426.70
|
9.2
|
1
|
1
|
20.23
|
1
|
|
|
(3R,3aR,5aR,5bR,7aS,11aR,13aS,13bR)-3a,5a,8,8,13a-pentamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,7a,9,10,11,13,13b-tetradecahydrocyclopenta[a]chrysene-11a-carboxylic acid
|
440.70
|
9.1
|
1
|
2
|
37.3
|
2
|
|
|
Filicenol B
|
426.70
|
9.2
|
1
|
1
|
20.23
|
2
|
|
|
(8S,9S,10R,13S,14S,17S)-17-hydroxy-17-[(1R)-1-[(1R,2R,4R,6S)-2-hydroxy-1,6-dimethyl-3,7-dioxabicyclo[4.1.0]heptan-4-yl]ethyl]-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-4H-cyclopenta[a]phenanthren-1-one
|
456.60
|
3.5
|
2
|
5
|
79.29
|
2
|
|
|
(8S,9S,10R,13S,14S,17S)-17-hydroxy-17-[(1R)-1-[(1R,2S,4R,6S)-2-methoxy-1,6-dimethyl-3,7-dioxabicyclo[4.1.0]heptan-4-yl]ethyl]-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-4H-cyclopenta[a]phenanthren-1-one
|
470.60
|
4.1
|
1
|
5
|
68.29
|
3
|
|
|
(8S,9S,10R,13S,14S,17S)-17-hydroxy-17-[(1R)-1-[(1R,2R,4R,6S)-2-methoxy-1,6-dimethyl-3,7-dioxabicyclo[4.1.0]heptan-4-yl]ethyl]-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-4H-cyclopenta[a]phenanthren-1-one
|
470.60
|
4.1
|
1
|
5
|
68.29
|
3
|
|
|
(8S,9S,10R,13S,14S,17S)-17-[(1R)-1-[(1R,2R,4R,6S)-1,6-dimethyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,7-dioxabicyclo[4.1.0]heptan-4-yl]ethyl]-17-hydroxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-4H-cyclopenta[a]phenanthren-1-one
|
618.80
|
1.9
|
5
|
10
|
158.44
|
5
|
|
|
3-[(2R,3S)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
536.60
|
4.4
|
3
|
9
|
123.91
|
12
|
|
|
[(E)-3-[4-[(1R,2S)-1-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxypropan-2-yl]oxy-3-methoxyphenyl]prop-2-enyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
698.70
|
6
|
4
|
12
|
170.44
|
18
|
|
|
3-[4-[(1R,2S)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]propyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
554.60
|
3.9
|
4
|
10
|
144.14
|
15
|
|
|
3-[(2R,3S)-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
742.80
|
6.6
|
3
|
13
|
168.67
|
18
|
|
|
3-[4-[(1S,2S)-1-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxypropan-2-yl]oxy-3,5-dimethoxyphenyl]propyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
760.80
|
6.2
|
4
|
14
|
188.9
|
21
|
|
|
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9S,10S,12aR,14bS)-9-(hydroxymethyl)-2,2,6a,6b,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
|
767.00
|
2.9
|
8
|
13
|
215.83
|
7
|
|
|
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9S,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
929.10
|
1.3
|
11
|
18
|
294.98
|
10
|
|
|
2-O-methyl 4a-O-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2S,4aR,6aR,6aS,6bR,8aR,9S,10S,12aR,14bS)-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-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-2,4a-dicarboxylate
|
811.00
|
1.6
|
8
|
15
|
242.13
|
9
|
|
|
(2S,4aR,6aR,6aS,6bR,8aR,9S,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2-methoxycarbonyl-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
811.00
|
1.8
|
8
|
15
|
242.13
|
9
|
|
|
2,6,6-Trimethyl-2-hydroxycyclohexanone
|
156.22
|
1.3
|
1
|
2
|
37.3
|
0
|
|
|
5-Ethenyl-1,7-dimethyl-9,10-dihydrophenanthren-2-ol
|
250.30
|
5
|
1
|
1
|
20.23
|
1
|
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