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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
[(1S,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl] formate
300.40
5.5
0
2
26.3
3
(1R,4aS,10aR)-1-hydroperoxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene
288.40
4.9
1
2
29.46
2
(1S,4aS,10aR)-1-hydroperoxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene
288.40
4.9
1
2
29.46
2
(1R,4aS,10aR)-1-hydroxy-1,4a-dimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
286.40
4
1
2
37.3
1
(1S,4aS,10aR)-1-hydroperoxy-1,4a-dimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
302.40
4
1
3
46.53
2
(1S,4aS,9R,10aR)-1-hydroperoxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-9-ol
304.40
3.8
2
3
49.69
2
(1S,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-ol
274.40
4.3
1
1
20.23
1
(1aS,3aR,4S,7aR,7bR,9aS)-4-hydroxy-4,7a-dimethyl-9a-propan-2-yl-1a,3a,5,6,7,7b,8,9-octahydrophenanthro[1,2-b]oxiren-3-one
304.40
2.3
1
3
49.83
1
3-[[(2R,3S,4S,5R,6S)-6-[3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4S,5R,6S)-3,4-dihydroxy-5-[3-(4-hydroxyphenyl)prop-2-enoyloxy]-6-methyloxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-[3-[(2S,3R,4S,5S,6R)-6-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxyphenyl]-7-hydroxychromenylium-5-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid
1314.10
17
32
525.02
24
(2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
450.40
0.2
7
11
186.37
4
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(2R,3R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-8-yl]oxy]oxan-3-yl] acetate
508.40
0.3
7
13
212.67
6
Argophyllone B
378.40
1.8
1
7
102.43
4
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-11-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
975.10
-0.3
13
20
335.44
11
3-Acetylechinatine
341.40
0.1
2
7
96.3
8
1-O-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] 16-O-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl] (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate
1139.10
-4.6
17
29
470.35
23
methyl (1S,4aS,6S,7R,7aS)-6-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2E)-6-hydroxy-2,6-dimethylocta-2,7-dienoyl]oxymethyl]oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
556.60
0.3
5
12
181.44
12
(E)-4-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]but-2-enal
260.40
5
0
1
17.07
3
(4aS,8aR)-5,5,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-2-carbaldehyde
206.32
4.3
0
1
17.07
1
[(1R,2S,4Z,8Z,10S)-4,8,11,11-tetramethyl-2-bicyclo[8.1.0]undeca-4,8-dienyl] 4-methoxybenzoate
354.50
5.2
0
3
35.53
4
(2R,3S,4R,5R)-2-[[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methyl]oxane-2,3,4,5-tetrol
310.35
-1.7
4
7
106.28
3
(2S,4S,5R)-2-[(2R,4S,5R,6S)-4-hydroxy-2-[(1S,2S,4S,5'R,6R,8R,9S,12S,13R,14S,16R)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl]oxy-6-methyl-5-[(2S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
855.00
1
8
16
235.68
6
(1R,8S,9R,16R,18S,27S)-9-(3,4-dihydroxyphenyl)-5,8,16,21,23-pentahydroxy-2,10,17,26-tetraoxaheptacyclo[14.11.1.01,13.03,12.06,11.018,27.020,25]octacosa-3(12),4,6(11),13,20,22,24-heptaen-15-one
576.50
1.2
7
12
195.6
1
2-[(1R,2R,3R,6R,7S)-2,6-dimethyl-3-tricyclo[5.2.1.02,6]decanyl]propanal
220.35
4.3
0
1
17.07
2
2-[(1R,2R,3S,6R,7S)-2,6-dimethyl-3-tricyclo[5.2.1.02,6]decanyl]propanal
220.35
4.3
0
1
17.07
2
3''-Chloro-3''-deoxytriphasiol
366.80
3.1
1
5
76.74
7
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