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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
(2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5R,6R)-4-hydroxy-5-[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy]oxan-2-yl]oxy-6-(hydroxymethyl)-2-[[(1R,2S,4S,7S,8R,9S,12S,13S)-6-methoxy-7,9,13-trimethyl-6-[3-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-16-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
1345.50
-3.4
17
31
473.13
20
(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S)-16-[(2S,3R,4R,5R,6R)-3,4-dihydroxy-5-[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one
1049.20
-2
12
23
352.13
11
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-2-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-5-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
855.00
0.9
8
16
235.68
7
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(1R,2S,4S,5'R,6R,7S,8S,9S,12S,13R)-8-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
738.90
1.7
7
13
196.99
5
Marsdenoside K
977.10
1.9
5
19
257.19
15
(1S,2S,3S,6S,8S,11S,13R,14R,17R,18S,19S)-3,13,18-trimethyl-12,20-dioxahexacyclo[11.6.1.02,11.03,8.011,17.014,18]icosane-6,17,19-triol
364.50
1.4
3
5
79.15
0
I(2)-D-Glucopyranose, 6-O-[2-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propen-1-yl]-I(2)-D-glucopyranosyl]-, 1,2-bis[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoate]
960.90
2
8
23
323.81
22
Demissidine
399.70
6.9
1
2
23.47
0
Valtrate Hydrine B4
524.60
2.6
1
10
134.66
16
(1R,2R)-4-methyl-1-[(2R)-6-methylhept-5-en-2-yl]cyclohex-3-ene-1,2-diol
238.37
2.9
2
2
40.46
4
(2S,3R,4S,5S,6R)-2-[4-[(1S,2S)-1,3-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)propyl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
482.50
-1.2
7
11
178.53
9
1-[(3aR,4S,7aR)-3a,4-dimethyl-1,4,5,6,7,7a-hexahydroinden-2-yl]ethanone
192.30
3.6
0
1
17.07
1
(2R,3R)-3,7,8-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
288.25
1.3
4
6
107.22
1
Paeoniflorin sulfonate
560.50
-1.4
5
14
216.12
9
(2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[(Z)-hex-3-enoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
424.40
-2.4
7
11
178.53
9
(2R,3R,4S,5S,6R)-2-[[(1S,2S,3R)-7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
552.60
0.4
7
12
187.76
9
(2S,3R,4S,5S,6R)-2-[4-[(E)-1-hydroxy-4-(4-hydroxyphenyl)but-2-en-2-yl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
418.40
1.7
6
8
139.84
7
(1S,2R,3R,9R,10R,17R)-2-(3,5-dihydroxyphenyl)-3,9,17-tris(4-hydroxyphenyl)-8-oxapentacyclo[8.7.2.04,18.07,19.011,16]nonadeca-4(18),5,7(19),11(16),12,14-hexaene-5,13,15-triol
680.70
6.8
8
9
171.07
4
[(3S,5S,8R,9S,10S,13R,14S,16S,17R)-3-[(2R,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate
740.80
-0.8
7
15
231.13
8
3-[(3S,5S,8R,9S,10S,11R,13R,14S,17R)-11,14-dihydroxy-10,13-dimethyl-3-[(2R,3R,4R,5R,6S)-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
536.70
0.9
5
9
145.91
3
3-[(3S,5S,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-11-oxo-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,5,6,7,8,9,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
534.60
0.7
4
9
142.75
3
3-[(3S,5S,8R,9S,10S,13R,14S,16S,17R)-14,16-dihydroxy-10,13-dimethyl-3-[(2R,3R,4R,5R,6S)-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
536.70
0.8
5
9
145.91
3
[(3S,5S,8R,9S,10S,13R,14S,16S,17R)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-3-[(2R,3R,4R,5R,6S)-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-16-yl] acetate
578.70
0.9
4
10
151.98
5
28-(O-I(2)-D-Xylopyranosyl-(1a4)-O-6-deoxy-I+/--L-mannopyranosyl-(1a2)-I+/--L-arabinopyranosyl) (2I(2),3I(2),4I+/-)-3-(I(2)-D-glucopyranosyloxy)-2-hydroxyolean-12-ene-23,28-dioate
1075.20
-0.7
13
23
370.97
11
Olean-12-ene-23,28-dioic acid, 3-(beta-D-glucopyranuronosyloxy)-2-hydroxy-, 28-(O-beta-D-xylopyranosyl-(1-->4)-O-6-deoxy-alpha-L-mannopyranosyl-(1-->2)-alpha-L-arabinopyranosyl) ester, (2beta,3beta,4alpha)-
1089.20
-0.5
13
24
388.04
11
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