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SCFBio, IIT Delhi Hauz Khas, New Delhi

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
Cistanoside G
446.40
-1.5
7
11
178.53
7
[(2R,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4R,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]oxyoxan-3-yl] acetate
506.50
-2.3
8
14
225.06
9
(2S,3R,4S,5S,6R)-2-[4-[1,3-Dihydroxy-2-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]propyl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
568.60
-0.4
7
13
196.99
13
[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-3-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxyoxolan-2-yl]oxyoxan-2-yl]methyl benzoate
666.60
-0.2
6
16
229.36
15
Xyl(b1-6)Glc(b)-O-EtPh(4-OH)
432.40
-2.5
7
11
178.53
7
5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydrochromen-4-one
478.40
0.2
6
11
175.37
5
8-[(2S,3R,4S,5S,6R)-3-[(2S,3R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-2,3-dihydrochromen-4-one
610.60
-1
8
15
234.29
8
Delphinidin 3-glucoside 5-(6''-malonylglucoside)
713.60
12
19
334.35
11
3-[[(2R,3S,4S,5R,6S)-6-[3-[(2S,3R,4S,5S,6R)-6-[(2-carboxyacetyl)oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-7-hydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-5-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid
799.60
12
22
377.72
15
Delphinidin 3-(6''-malonylglucoside) 5-glucoside
713.60
12
19
334.35
11
(1S,4S,7S,8R,11R,13S)-2,12-dimethyl-13-propan-2-yl-10-oxa-2-azatetracyclo[5.4.1.18,11.04,12]tridecan-9-one
263.37
3
0
3
29.54
1
2-Hydroxy-4-(2-propen-1-yl)phenyl 6-O-(6-deoxy-I+/--L-mannopyranosyl)-I(2)-D-glucopyranoside
458.50
-1.2
7
11
178.53
7
Calleryanin
302.28
-2.3
6
8
139.84
4
Linaroside
476.40
1.2
5
11
168.28
6
(2S,3R,4S,5S,6R)-2-[4-[(6S)-6-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
742.70
-1.4
8
18
254.14
12
[(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxochromen-6-yl]-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
784.70
0.7
9
18
284.73
12
[(2R,3R,4R,5R,6R)-2-[[(2R,3R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
756.70
-1.7
11
19
304.21
14
Gallic acid 3-O-(6a(2)-O-galloyl)-I(2)-D-glucopyranoside
484.40
-0.8
9
14
243.9
7
3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-2-yl]oxybenzoic acid
484.40
-0.8
9
14
243.9
7
1-O-Gentiobiosyl-3,7-dimethoxy-8-hydroxyxanthone
612.50
-1.2
8
16
247.43
8
Glomeratose A
562.50
-1.7
7
15
223.29
12
[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-3-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxyoxolan-2-yl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
708.70
-0.1
7
17
249.59
16
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[5-methyl-4-oxo-2-(2-oxopropyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-8-yl]oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
702.70
-0.8
8
16
263.11
11
Chrysophanol tetraglucoside
902.80
-4.6
14
24
391.2
12
(2S,3R,4S,5S,6R)-2-[4-(1-hydroxyethyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
300.30
-0.4
5
7
119.61
4
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