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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
23-Hydroxyphysalolactone
555.10
0.4
6
9
164.75
2
3,4-Bis(1,3-benzodioxol-5-ylmethyl)-3-hydroxyoxolan-2-one
370.40
2.9
1
7
83.45
4
5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
508.40
0.7
7
13
208.74
6
[(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] acetate
520.40
1.3
6
13
205.58
7
3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
508.40
0.7
7
13
208.74
6
Limocitrin 3,7-diglucoside
670.60
-1.1
10
18
287.89
9
Lycopersiconolide
362.50
4.2
2
4
66.76
0
9-Phenyl-1-(2,4,6-trihydroxyphenyl)nonan-1-one
342.40
6
3
4
77.76
10
[(2R,3S,4S,5R,6S)-6-[(2S,3R,4R,5S,6S)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
636.60
-0.4
8
16
255.27
8
Kaempferol 3-O-rhamninoside
740.70
-2
11
19
308.12
8
(5-Acetyloxy-6-benzoyloxy-3,8-dioxatricyclo[5.1.0.02,4]octan-4-yl)methyl benzoate
424.40
2.5
0
8
103.96
9
(2S)-5-hydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-2,3-dihydropyrano[2,3-h]chromen-4-one
338.40
3.7
2
5
75.99
1
Glucodistylin
466.40
-0.1
8
12
206.6
4
Taxifolin-3-glucoside
466.40
-0.1
8
12
206.6
4
29-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-7,8,9,12,13,14,17,18,19,25-decahydroxy-24-(hydroxymethyl)-3,23,26-trioxahexacyclo[13.10.3.12,6.05,10.011,28.016,21]nonacosa-5(10),6,8,11,13,15(28),16,18,20-nonaene-4,22,27-trione
904.70
1.5
16
23
411.81
3
Methyl 2-[2,3-dimethoxy-6-methoxycarbonyl-4-(2,3,4-trimethoxy-6-methoxycarbonylphenoxy)phenyl]-3,4,5-trimethoxybenzoate
660.60
4.4
0
15
161.97
17
Aginoside progenin
772.90
0.4
9
15
237.45
6
Ampeloside Bs1
935.10
-1.2
12
20
316.6
9
Ampeloside Bf1
1115.20
-3.7
17
26
426.98
16
Ampeloside Bf2
953.10
-2.2
14
21
347.83
13
3,5-Dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
530.50
3
6
11
179.28
7
6-[2-[[4,4,6a,6b,8a,11,14b-Heptamethyl-14-oxo-11-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
985.10
1.9
11
21
346.19
10
Licoricesaponin A3
985.10
1.9
11
21
346.19
10
6-[6-Carboxy-2-[(11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicen-3-yl)oxy]-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
806.90
4.5
8
15
249.97
7
6-[(9-Acetyloxy-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl)oxy]-5-[6-carboxy-4,5-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
1013.10
2.9
10
21
335.19
11
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