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Chemical Library

Physicochemical properties (MW, LogP) of all entries.

Total Rows 105,909
Pages 4,237
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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