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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
[(4S,4aS,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4R,5S)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-4-hydroxy-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-5-yl] acetate
943.10
1.7
10
18
283.98
10
[(2S,4aR,4bR,8R,10aR,10bR,12aR)-1,1,4a,8,10a,10b-hexamethyl-8-(4-methylpent-3-enyl)-3,4,4b,5,7,9,10,11,12,12a-decahydro-2H-chrysen-2-yl] acetate
468.80
9.9
0
2
26.3
5
[(1S,2R,4R,6S,7S,10R,11R,16R,17R,18S)-18-acetyloxy-6-(furan-3-yl)-1,7,11,15,15-pentamethyl-14-oxo-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadec-12-en-17-yl] acetate
510.60
4.5
0
7
95.34
5
3-[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
520.70
2.1
4
8
125.68
3
(3S,5R,8R,9S,10R,13R,14S,17R)-14-hydroxy-3-[(2R,3R,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-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
872.90
-3
9
19
290.05
11
(3S,5R,8R,9S,10R,13R,14S,17R)-3-[(2R,3R,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
548.70
0.7
3
9
131.75
5
(3S,5R,8R,9S,10R,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-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carboxylic acid
888.90
-2.9
10
20
310.28
11
3-[(3S,4aS,6aR,6bS,9S,10aR,11aS,11bS)-6b-hydroxy-3-[(2R,3R,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-11b-methyl-10-methylidene-1,2,3,4,4a,5,6,6a,7,8,9,10a,11,11a-tetradecahydrobenzo[a]fluoren-9-yl]-2H-furan-5-one
856.90
-1.8
9
18
272.98
10
1-[(3S,5R,8R,9S,10S,13R,14S,17S)-14-hydroxy-3-[(2R,3R,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-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethanone
997.10
-3.3
13
23
363.13
14
(2R,3R,4S,5R,6R)-2-[(1R,2S,4S,5'S,6R,7S,8S,9S,12S,13R,16S)-8-hydroxy-5'-(hydroxymethyl)-7,9,13-trimethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
608.80
1.6
6
10
158.3
4
(2S,3R,4R,5R,6S)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-[(1R,2S,4S,5'S,6R,7S,8S,9S,12S,13R,16S)-8-hydroxy-5'-(hydroxymethyl)-7,9,13-trimethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
754.90
0
8
14
217.22
6
(2R,3R,4S,5S,6R)-2-[[(1R,2S,4aR,4bR,6aS,7R,8S,10aR,10bR,12aR)-7-hydroxy-8-(hydroxymethyl)-8-[(E)-5-hydroxy-4-methylpent-3-enyl]-1,4a,10a,10b-tetramethyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,4b,5,6,6a,7,9,10,11,12,12a-dodecahydro-2H-chrysen-1-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
817.00
2.2
11
15
259.45
12
(2R,3R,4S,5S,6R)-2-[[(1R,2S,4aR,4bR,6aS,7R,8S,10aR,10bR,12aR)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-7-hydroxy-8-(hydroxymethyl)-1,4a,10a,10b-tetramethyl-8-(4-methylpent-3-enyl)-3,4,4b,5,6,6a,7,9,10,11,12,12a-dodecahydro-2H-chrysen-1-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
963.20
1.9
13
19
318.37
14
(1R,2S,4aR,4bR,6aR,7R,8S,10aR,10bR,12aS)-2,7-bis(hydroxymethyl)-4a,4b,7,10a-tetramethyl-2-(4-methylpent-3-enyl)-3,4,5,6,6a,8,9,10,10b,11,12,12a-dodecahydro-1H-chrysene-1,8-diol
476.70
7.2
4
4
80.92
5
(2R,3S,4S,5R,6S)-6-[4-[(3S,3aS,6R,6aS)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxyphenoxy]-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
712.70
-0.8
7
17
233.91
12
(2R,3S,4S,5R,6S)-6-[4-[(3R,3aS,6R,6aS)-6-[4-[1,3-dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-2-yl]oxy-3,5-dimethoxyphenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenoxy]-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
938.90
-0.7
9
22
302.06
19
(2S,3R,4S,5S,6R)-2-[4-[(3R,3aS,6R,6aS)-6-[4-[1,3-dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-2-yl]oxy-3,5-dimethoxyphenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
806.80
0.6
7
18
243.14
16
[(1S,2S,5R,7R,8S,10S,11R,13R)-7-acetyloxy-12,12-dimethyl-6-methylidene-9,16-dioxo-14-oxapentacyclo[11.2.2.15,8.01,11.02,8]octadecan-10-yl] acetate
430.50
1.5
0
7
95.97
4
(4aS,9R,11bS)-7,11-dihydroxy-9-(hydroxymethyl)-4,4,11b-trimethyl-2,3,4a,5,8,9-hexahydro-1H-naphtho[2,1-f][1]benzofuran-6-one
346.40
4.1
3
5
86.99
1
(1R)-1-[(4-hydroxyphenyl)methyl]-7-methoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-8-ol
314.40
3.1
2
3
49.69
3
quercetin 3-O-beta-D-glucopyranosyl-(1->2)-rhamnopyranoside
610.50
-0.7
10
16
269.43
6
(6S)-2,6-dimethylocta-1,7-dien-3-one
152.23
2.6
0
1
17.07
5
[(2S,3R,4S,5S)-2,5-bis(4-hydroxy-3-methoxyphenyl)-4-[2-(4-hydroxyphenyl)ethylcarbamoyl]oxolan-3-yl]methyl acetate
551.60
3.2
4
9
143.78
11
[(2S,3R,4S,5R)-2,5-bis(4-hydroxy-3-methoxyphenyl)-4-[2-(4-hydroxyphenyl)ethylcarbamoyl]oxolan-3-yl]methyl acetate
551.60
3.2
4
9
143.78
11
[(3S,4aS,5R,6S)-5-ethenyl-1-oxo-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl] (E)-2-methylbut-2-enoate
456.40
0.3
4
11
161.21
7
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