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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
Luteolin-3',7-diglucoside hplc
610.50
-1.3
10
16
269.43
7
5-Hydroxy-2-[3-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
610.50
-1.3
10
16
269.43
7
5-hydroxy-2-[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
610.50
-1.3
10
16
269.43
7
Luteolin 4'-glucoside 7-galacturonide
624.50
-1.1
10
17
286.5
7
15alpha-Hydroxycimicidol-3-O-beta-xyloside
783.00
3.9
8
13
207.99
7
(2R,3R,4S,5S,6R)-2-[[(1R,2R,5R,7S,10R,11R,13R,15R,17S,18S,21R)-1,2,6,6,10,17-hexamethyl-15-(2-methylprop-1-enyl)-17-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-14-oxapentacyclo[11.7.1.02,11.05,10.018,21]henicosan-7-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
783.00
3.9
8
13
207.99
7
7-Hydroxy-6,8-bis(3-methylbut-2-enyl)chromen-2-one
298.40
5.4
1
3
50.44
4
Xambioona
388.50
4.8
0
4
44.76
1
(6beta,24R)-6-Hydroxystigmast-4-en-3-one
428.70
8
1
2
37.3
6
(6S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-6-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
428.70
8
1
2
37.3
6
7,8-Dimethoxy-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-11-ol
279.29
3.1
1
4
51.58
2
dimethyl (1S,5R,17S)-8,20-dihydroxy-2,2-dimethyl-4-oxo-3,16,28-trioxaheptacyclo[15.11.0.01,5.06,15.09,14.018,27.021,26]octacosa-6(15),7,9,11,13,18(27),19,21,23,25-decaene-7,19-dicarboxylate
556.50
5.6
2
10
137.82
4
1,7-Dihydroxy-3,6-dimethoxy-2,8-diprenylxanthone
424.50
6.6
2
6
89.13
6
(2S,3R,5R)-2-[(R)-bromo-[(2R,3R,5S,6R)-3,5-dibromo-6-ethyloxan-2-yl]methyl]-5-[(1R)-1-bromoprop-2-ynyl]oxolan-3-ol
567.90
4.1
1
3
38.69
4
(1R,3S,4R,6S)-3-[(R)-bromo-[(2R,3R,5S,6R)-3,5-dibromo-6-ethyloxan-2-yl]methyl]-6-ethynyl-2,5-dioxabicyclo[2.2.1]heptane
487.00
3.7
0
3
27.69
3
Antiarone E
438.50
6.6
4
6
107.22
8
Antiarone C
438.50
6.6
4
6
107.22
8
Tricoumaroyl spermidine
583.70
4.6
5
6
139.2
15
Kaempferide 3-O-sulfate
380.30
2.3
3
9
151.88
4
Flavanthridin
272.29
3.1
2
4
58.92
2
Flavanthrinin
240.25
3.7
2
3
49.69
1
[2-Hydroxy-2-(3-hydroxy-6-oxo-2,3-dihydropyran-2-yl)-1-phenylethyl] acetate
292.28
1
2
6
93.06
5
Rhodiolin
480.40
3.1
5
10
159.05
4
Helixoside A
1121.30
-0.9
15
24
394.36
14
N-(4-hydroxy-3-nitrophenylethyl)acetamide
224.21
1.6
2
4
92.47
3
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