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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
Nudifloside C
542.60
-0.3
5
12
181.44
3
25-O-cinnamoylvulgaroside
566.70
5.9
3
7
113.29
8
orthosiphol I
570.60
2.8
2
10
153.5
8
[(2R,3S,4S,5R,6S)-3,5-diacetyloxy-6-[[(2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-7-hydroxy-3-oxo-1-benzofuran-6-yl]oxy]-4-hydroxyoxan-2-yl]methyl acetate
574.50
1.5
4
14
204.58
10
(3S,5S,8R,9S,10S,12R,13S,14S,17R)-3-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxy-5,12,14-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
580.70
-1.3
5
11
172.21
5
Rivulobirin E
590.60
4.2
2
11
154.85
10
Esulatin B
592.60
1.9
0
12
165.64
10
Clerodendrin E
592.60
1.4
1
12
156.42
11
(4S,5R,6R)-5-[(2S,4S,5R,6R)-5-[(2S,4S,5R,6R)-5-[(2S,3R,4R,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-one
608.70
-0.2
2
14
159.06
10
ligurobustoside C
608.70
2
6
12
184.6
13
[3-[2-[(1R,2S,4aR,4bS,8aS,10aR)-2-(acetyloxymethyl)-2-hydroxy-4b,8,8,10a-tetramethyl-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-1-yl]-1-hydroxyethyl]-5-oxo-2H-furan-2-yl] (E)-3-phenylprop-2-enoate
608.80
6.5
2
8
119.36
10
cis-Goniothalamicin formal
608.90
9.7
2
7
94.45
23
Arianacin formal
608.90
9.7
2
7
94.45
23
6,7,13,14-tetrahydroxy-5-[5,6,7-trihydroxy-1-oxo-3-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]isochromen-8-yl]-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dione
614.40
-1.1
11
17
313.16
5
(2S,3R,4S,5S,6R)-2-[[(1S,2S,4R,6S)-4-[(1S)-1-[(1S,3R,8S,9S,10R,13S,14S,17R)-1,3-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-1,6-dimethyl-3,7-dioxabicyclo[4.1.0]heptan-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
622.80
2.7
6
10
161.6
5
N-[(2S)-1-[(1R,12R,13S,14R)-1-hydroxy-3-methoxy-12-(4-methoxyphenyl)-15-oxo-13-phenyl-5,7,11-trioxatetracyclo[10.2.1.02,10.04,8]pentadeca-2,4(8),9-triene-14-carbonyl]pyrrolidin-2-yl]-2-methylpropanamide
628.70
4.5
2
9
132.86
7
3-[4-[[(1S)-7-(7-hydroxy-6-methoxy-2-methylisoquinolin-2-ium-8-yl)oxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]-4-methoxybenzaldehyde
621.70
6.2
1
8
90.57
10
5-Hexyl-4-methyldihydrofuran-2(3H)-one
184.27
3.6
0
2
26.3
5
quadranoside VIII
648.80
3.3
7
10
177.14
5
[(1S,3R,8S,9S,10R,13S,14S,17R)-17-[(1S)-1-[(2R)-5-(hydroxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-1-yl] acetate
662.80
3.7
5
11
172.21
8
Staminolactone B
690.70
5.4
1
12
160.96
11
[(2S,3S,4S,5R,6S)-4-acetyloxy-5-hydroxy-6-[[(1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl]oxy]-2-methyloxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
696.60
-1.4
7
17
252.89
12
(2S)-N-[(3R,4S,10S,13S,16S)-3-ethyl-24-hydroxy-13,16-bis(2-methylpropyl)-5,11,14,17,20-pentaoxo-6,12,15,18-tetrazatricyclo[19.3.1.06,10]pentacosa-1(24),21(25),22-trien-4-yl]-5-oxopyrrolidine-2-carboxamide
696.80
2.9
6
8
203.11
7
[(2R,3S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 4-hydroxybenzoate
698.60
4.2
10
14
247.06
6
Parishin C
728.60
-2.7
10
19
308.89
17
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