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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
[5-hydroxy-4-oxo-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-7-yl] (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
800.70
0.2
10
19
304.96
12
4,5-Di-O-caffeoyl-1,3-di-O-coumaroylquinic acid
808.70
6.1
7
16
263.88
17
cyclo-(Gly1-Ser-Pro2-Tyr2-Gly2-Tyr1-Pro1-Pro3)
818.90
0.1
8
11
267.12
5
Indioside E
855.00
1.5
8
16
235.68
7
[(2S,3S,4R,5R)-2-[(2R,3R,4S,5S,6R)-3-acetyloxy-6-(acetyloxymethyl)-4,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-5-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]oxolan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
924.80
2.5
6
21
299.03
23
Triricinolein
933.40
17.8
3
9
139.59
53
(E,E)-4,4''-Bi(N-4-hydroxycinnamoylserotonin)
642.70
5.7
8
6
170.7
11
(1R,2S,3R,6R,8S,9S,13S,14R,15R,16S,17R)-15,16-dihydroxy-9,13-dimethyl-3-(3-methylbutanoyloxy)-4,10-dioxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylic acid
670.70
-0.4
7
16
256.04
8
Norstaminol A
678.70
4.5
1
12
156.42
10
5-[(2R,3R,5S,6S)-3-(3,5-dihydroxyphenyl)-2,6-bis(4-hydroxyphenyl)-4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2,3,5,6-tetrahydrofuro[3,2-f][1]benzofuran-5-yl]benzene-1,3-diol
680.70
7.7
7
9
160.07
6
(2S,3S,4R,9E)-1,3,4-trihydroxyl-2-[(2'R)-2'-hydroxytetracosanoylamino]-9-octadecene
682.10
14.9
5
5
110.02
38
epicalyxin I
686.70
7.4
5
9
145.91
9
Epicalyxin J
686.70
6.9
4
9
134.91
7
Cryptophycin E
687.20
5.6
3
9
152.79
20
CID 11765370
710.70
-0.1
6
16
245.04
9
3-[(3S,5S,8R,9S,10R,12R,13S,14S,17R)-3-[(2R,3R,4S,5S,6R)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-12,14-dihydroxy-10-(hydroxymethyl)-13-methyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
714.80
-2.4
9
15
245.29
7
(4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-sulfooxyoxan-2-yl]oxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
714.90
4.9
6
12
208.66
6
Salvianolic acid L
718.60
3.9
10
16
289.04
13
methyl (1S,4aS,6S,7R,7aS)-6-[(2E,6S)-2,6-dimethyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyocta-2,7-dienoyl]oxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
718.70
-0.8
8
17
260.59
15
Segetalin D
719.80
2.1
7
8
215.14
7
5-[(2R,3S,4R,5R,6S)-6-[2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3-hydroxy-3-methyl-5-oxopentanoic acid
724.70
0.1
5
18
248.57
16
2'',4''-Di-O-(E-p-Coumaroyl)afzelin
724.70
5.8
6
14
222.65
11
(4R,4aR)-6-acetyl-4,4a-dimethyl-3,4,7,8-tetrahydronaphthalen-2-one
218.29
1.7
0
2
34.14
1
cinchonain IIa
740.70
3.2
11
15
267.29
4
(10S,11R,12R,15R)-3,4,5,11,12,13,21,22,23,27,39,40-dodecahydroxy-9,14,17,25,31,36-hexaoxaoctacyclo[30.6.2.02,7.010,15.019,24.026,35.029,34.033,38]tetraconta-1(39),2,4,6,19,21,23,26,28,32(40),33(38),34-dodecaene-8,18,30,37-tetrone
782.50
0
12
22
374.24
0
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