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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
[(3E,6E,8S,10R)-8,10-dihydroxy-2,6,10-trimethyldodeca-3,6,11-trien-2-yl] acetate
296.40
2.5
2
4
66.76
9
3,4,5-Trihydroxy-2-[[3,4,5,21,22-pentahydroxy-8,17-dioxo-11-(3,4,5-trihydroxybenzoyl)oxy-13-[(3,4,5-trihydroxybenzoyl)oxymethyl]-14-[3,4,5-trihydroxy-2-[[7,8,9,12,13,28,29,30,33,34,35-undecahydroxy-4,17,25,38-tetraoxo-20-(3,4,5-trihydroxybenzoyl)oxy-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-14-yl]oxy]benzoyl]oxy-9,12,16-trioxatetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,18,20-hexaen-20-yl]oxy]benzoic acid
2041.40
4.8
32
57
964.35
18
5-hydroxy-2-(4-methoxyphenyl)-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxychromen-4-one
594.50
-0.9
8
15
238.2
7
[(10S,11S,12R,13R,15S)-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-[[(10S,11S,13S,14R,36R,37S,39R,56S,57R,63R)-4,5,6,19,20,21,24,25,29,30,31,37,46,47,50,51-hexadecahydroxy-8,16,34,42,54,60-hexaoxo-11,57,63-tris[(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
2505.70
4.8
38
70
1166.02
17
(2S,3R,4S,4aR,6aR,6bR,8aS,12aS,14aR,14bR)-8a-[(2R,3S,4R,5R,6S)-4,5-diacetyloxy-3-[(2R,3S,4R,5S,6R)-3,4-dihydroxy-5-[(2S,3R,4R,5R)-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxycarbonyl-2-hydroxy-6b-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
1483.50
-3.7
17
35
541.41
21
(2S,3R,4S,4aR,6aR,6bR,8aS,12aS,14aR,14bR)-8a-[(2R,3S,4R,5R,6S)-4,5-diacetyloxy-3-[(2R,3S,4R,5S,6R)-3,4-dihydroxy-5-[(2S,3R,4R,5R)-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxycarbonyl-2-hydroxy-6b-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
1483.50
-3.7
17
35
541.41
21
(2S,3R,4S,4aR,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8a-[(2S,3R,4S,5S)-3-[(2S,3R,4S,5S,6S)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxycarbonyl-3-[(2R,3R,4S,5S,6R)-3-[(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-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,8-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
1547.60
-5.8
22
38
608.42
20
[(3R,7E,9E)-10-chloro-2,2-dimethyl-5-methylidenedeca-7,9-dien-3-yl] (2S)-1-methyl-5-oxopyrrolidine-2-carboxylate
353.90
4.9
0
3
46.61
9
[(2S)-2,3-di(octadeca-9,12-dienoyloxy)propyl] icosanoate
911.50
23
0
6
78.9
54
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-11-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
1105.30
0.7
14
23
374.13
13
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-icos-11-enoyloxypropyl] icos-11-enoate
800.10
12.7
2
9
144.19
45
[(2S)-1-icos-11-enoyloxy-3-octadeca-9,12-dienoyloxypropan-2-yl] icosanoate
941.50
24.8
0
6
78.9
57
[(2S)-1-icos-11-enoyloxy-3-octadec-9-enoyloxypropan-2-yl] icosanoate
943.60
25.5
0
6
78.9
58
[(2R)-3-[hydroxy-[2-hydroxy-3-[hydroxy-[(2R)-3-octadeca-9,12-dienoyloxy-2-octadeca-6,9,12-trienoyloxypropoxy]phosphoryl]oxypropoxy]phosphoryl]oxy-2-octadeca-9,12-dienoyloxypropyl] octadeca-9,12-dienoate
1447.90
23.3
3
17
256.57
77
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-octadec-9-enoyloxypropan-2-yl] docos-13-enoate
800.10
12.7
2
9
144.19
45
[(2R)-2,3-di(icos-11-enoyloxy)propyl] icosanoate
971.60
26.6
0
6
78.9
60
(1R,2R,4aR,5S,8aR)-5-[(4S)-4,5-dihydroxy-3-methylidenepentyl]-2-hydroxy-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
352.50
2.9
4
5
97.99
6
(2S)-2-amino-3-[[(2R)-2,3-di(octadeca-9,12,15-trienoyloxy)propoxy]-hydroxyphosphoryl]oxypropanoic acid
780.00
7.4
3
11
181.49
38
(2S)-2-hydroxy-N-[(E,2S,3S,4S)-1,3,4-trihydroxyoctadec-8-en-2-yl]octadecanamide
598.00
11.6
5
5
110.02
32
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-octadeca-9,12,15-trienoyloxypropyl] octadec-9-enoate
740.00
9.2
2
9
144.19
39
[(2S)-3-hydroxy-2-icos-11-enoyloxypropyl] icos-11-enoate
677.10
16.5
1
5
72.83
40
[(2R)-1-hexadecanoyloxy-3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxypropan-2-yl] octadec-9-enoate
732.00
10.9
2
9
130.2
41
[(2S)-3-hydroxy-2-octadeca-9,12-dienoyloxypropyl] docosanoate
677.10
16.8
1
5
72.83
40
[(2S)-3-hydroxy-2-icos-11-enoyloxypropyl] docosanoate
707.20
18.5
1
5
72.83
43
[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4R,5R)-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-5-[(2S,9R)-9,16-dihydroxy-2-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyhexadecanoyl]oxy-4-hydroxy-6-methyloxan-2-yl] (4aR,5R,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-5,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
1774.00
-2
22
39
617.65
35
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