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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
Sophoraflavanone L
424.50
5.8
3
6
96.22
6
Cyclokuraridin
438.50
6
3
6
96.22
6
Sophoradione
440.50
6.3
4
7
124.29
9
Caulilexin B
204.22
1.5
1
2
43.26
3
Caulilexin A
223.30
2.4
1
3
83.46
3
3-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
564.50
-0.3
8
14
228.97
5
2,6-dimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-8-ol
396.60
8.6
1
2
29.46
9
1,6-Dihydroxy-2-(3-hydroxy-3-methylbutyl)-3,7-dimethoxy-8-(3-methylbut-2-enyl)xanthen-9-one
442.50
5.2
3
7
109.36
7
1,8-dihydroxy-3-[(2E,5E)-7-hydroxy-3,7-dimethylocta-2,5-dienoxy]-6-methylanthracene-9,10-dione
422.50
4.8
3
6
104.06
6
9-Hydroxy-11-(3-hydroxy-3-methylbutyl)-5,10-dimethoxy-2,2-dimethyl-3,4-dihydropyrano[2,3-a]xanthen-12-one
442.50
4.1
2
7
98.36
5
1,6-Dihydroxy-8-(3-hydroxy-3-methylbutyl)-3,7-dimethoxy-2-(3-methylbut-2-enyl)xanthen-9-one
442.50
5.2
3
7
109.36
7
16-Hydroxy-10-methoxy-6,6,19,19-tetramethyl-5,13,18-trioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3,9,11,15,17(22)-hexaen-2-one
410.50
4.5
1
6
78.13
1
11alpha-Hydroxygedunin
498.60
3.1
1
8
115.57
3
(2R,3R,4R,5R,6S)-2-[[(2R,3S,4R,5R,6R)-6-[(2Z,6E,10E,14S)-14-[(2S,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-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoxy]-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol
1085.20
-2.3
15
25
395.75
24
[(1S,2S,4S,5S,6S,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] (E)-3-(4-hydroxyphenyl)prop-2-enoate
508.50
-0.9
6
12
187.9
8
(2R,3aS,4'aR,7S,7'R,9aS,9bR)-7,7'-bis(2-hydroxypropan-2-yl)-1',4'a,5,9a-tetramethylspiro[3a,6,7,8,9,9b-hexahydrobenzo[g][1]benzofuran-2,3'-5,6,7,8-tetrahydro-4H-naphthalene]-2',3,4-trione
512.70
3.7
2
6
100.9
2
Grandisine C
277.36
1.2
1
4
49.77
0
Grandisine F
276.37
0.9
1
4
55.56
0
11beta-Hydroxygedunin
498.60
3.1
1
8
115.57
3
(1S,2R,4S,7S,8S,10S,11R,12S,17R,19R)-7-(furan-3-yl)-10,19-dihydroxy-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadec-13-ene-5,15-dione
456.50
2.5
2
7
109.5
1
(1S,2R,4S,7S,8S,10R,11R,12S,17R,19R)-7-(furan-3-yl)-10,19-dihydroxy-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadec-13-ene-5,15-dione
456.50
2.5
2
7
109.5
1
11alpha-Acetoxygedunin
540.60
3.6
0
9
121.64
5
(1S,2R,5R,11R,12R,15R)-2,6,6,11-tetramethyl-7-oxapentacyclo[13.3.1.01,15.02,12.05,11]nonadec-9-ene-3,8-dione
342.50
4.8
0
3
43.37
0
3'-O-beta-D-glucopyranosylcalactin
694.80
-0.7
6
14
210.9
5
6'-Dehydroxyghalakinoside
550.60
-1
5
10
155.14
2
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