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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
5alpha-Stigmasta-7,25-dien-3beta-ol
412.70
9
1
1
20.23
6
[4-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)oxan-3-yl] (Z)-3-(3,4-dihydroxyphenyl)prop-2-enoate
610.60
-0.6
9
15
245.29
12
2,16-dihydroxy-4,4,9,13,14-pentamethyl-17-(2,5,6-trihydroxy-6-methyl-3-oxoheptan-2-yl)-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dione;16-hydroxy-4,4,9,13,14-pentamethyl-17-(2,5,6-trihydroxy-6-methyl-3-oxoheptan-2-yl)-1,7,8,10,12,15,16,17-octahydrocyclopenta[a]phenanthrene-2,3,11-trione
1065.30
9
16
301.56
10
Momordicine III
648.80
2.9
6
10
173.98
9
(3S,4S,5S,10S,13R,14R)-17-[(2R,5S)-5,6-dimethylhept-6-en-2-yl]-4,10,13,14-tetramethyl-1,2,3,4,5,6,7,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol
426.70
9.2
1
1
20.23
5
(24S)-14alpha,24-Dimethyl-9beta,19-cyclo-5alpha-cholest-25en-3beta-ol
412.70
9.6
1
1
20.23
5
24-Methylene-31-nor-5alpha-cycloartan-3-one
424.70
9.6
0
1
17.07
5
24-Methylene-31-nor-5alpha-lanost-9(11)-3beta-ol
426.70
9.3
1
1
20.23
5
5,10(15)-Cadinen-4-ol
220.35
2.9
1
1
20.23
1
[3,4,5,13,21,22,23-Heptahydroxy-8,18-dioxo-11-(3,4,5-trihydroxybenzoyl)oxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-12-yl] 2-[[4,5,6,19,20,21,24,25,29,30,31,37,46,47,50,51,63-heptadecahydroxy-8,16,34,42,54,60-hexaoxo-11,57-bis[(3,4,5-trihydroxybenzoyl)oxy]-2,9,12,15,27,35,38,41,55,61-decaoxaundecacyclo[34.15.6.513,26.13,7.110,14.017,22.028,33.039,56.043,48.049,53.023,59]tetrahexaconta-1(51),3,5,7(64),17,19,21,23,25,28,30,32,43,45,47,49,52,58-octadecaen-45-yl]oxy]-3,4,5-trihydroxybenzoate
2353.60
3.6
36
66
1099.26
14
3,4-Dihydroxyphenylethanol-4-diglucoside
478.40
-3.2
9
13
218.99
8
Apigenin 7-di-O-xyloside
566.50
-2.6
9
15
249.2
5
25-Ethoxy-24-methoxycylcoartanol
488.80
8.6
1
3
38.69
8
25-Hydroxy-24-methoxycycloartanol
460.70
7.7
2
3
49.69
6
Cellopentaosylsitosterol
1225.40
-0.8
16
26
415.98
21
Cellotetraosylsitosterol
1063.30
1.3
13
21
336.83
18
24-alpha-Methyllophenol
414.70
9
1
1
20.23
5
Kaempferol 3-O-beta-D-diglucopyranoside 7-O-beta-D-glucopyranoside
772.70
-3.2
13
21
348.58
10
Quercetin 3-O-beta-D-glucopyranoside 7-O-beta-L-rutinoside
772.70
-3.1
13
21
348.58
9
Quercetin 3-O-beta-robinoside 7-O-alpha-L-rhamnopyranoside
756.70
-2.6
12
20
328.35
8
(5S,10R,13R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,4,5,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-dione
426.70
7.3
0
2
34.14
5
(6R,10R,13R)-17-[(2R,5R)-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
6beta-Hydroxystigmasta-4,22-dien-3-one
426.70
7.2
1
2
37.3
5
(10R,13R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione
412.60
7.8
0
2
34.14
5
Stigmast-4,22-diene-3,6-dione
424.70
7.6
0
2
34.14
5
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