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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
Castasterone
464.70
4.7
4
5
97.99
5
Ruscin
869.00
-0.1
9
17
255.91
7
(2R)-4-hydroxy-2-(2-hydroxypropan-2-yl)-7-methyl-2,3-dihydrofuro[3,2-g]chromen-5-one
276.28
2.1
2
5
79.9
1
2-[(1S,2S)-2-[(Z)-5-hydroxypent-2-enyl]-3-oxocyclopentyl]acetic acid
226.27
0.4
2
4
74.6
6
2,6-dihydroxy-2-[(4-hydroxyphenyl)methyl]-4-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-benzofuran-3-one
450.40
-0.2
7
11
186.37
5
(2R,3R)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3,4-dihydroxy-2-methylbutanoic acid
312.27
0
5
8
144.52
7
6'-(p-Hydroxybenzoyl)mussaenosidic acid
496.50
-0.6
6
12
192.44
7
2-[(1S,2S)-3-oxo-2-[(Z)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypent-2-enyl]cyclopentyl]acetic acid
388.40
-1.2
5
9
153.75
9
12-Methoxycarnosic acid
346.50
5.2
2
4
66.76
3
[2-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 1-hydroxy-6-oxocyclohex-2-ene-1-carboxylate
424.40
-0.6
5
10
162.98
7
(1R,4aR,7R,7aR)-7-hydroxy-7-methyl-1-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid
376.36
-2
6
10
166.14
4
Isochapelieric acid
422.50
4.7
2
6
93.06
4
3-[(3R,5R,8S,10S,13S,14R,17S)-3-[(2S,3S,4R,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-14-hydroxy-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
698.80
-0.7
8
14
225.06
7
methyl (1R,4aS,6R,7S,7aR)-4a,7-dihydroxy-6-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-7-methyl-1-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
568.50
-0.8
7
14
221.9
9
[(1R,2S,4R,5S,6R,10R)-6-hydroxy-2-methyl-10-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] (2E,6R)-6-hydroxy-2,6-dimethylocta-2,7-dienoate
528.50
-1
6
12
187.9
10
2',5,8-Trihydroxy-7-methoxyflavanone
302.28
2.4
3
6
96.22
2
(3aS,4aR,5R,5aS,6aS)-5-(3-hydroxybutyl)-5a-methyl-3-methylidene-3a,4,4a,5,6,6a-hexahydrocyclopropa[f][1]benzofuran-2-one
250.33
2.5
1
3
46.53
3
(3aS,5aS,9bS)-3a-hydroxy-5a,9-dimethyl-3-methylidene-4,5,6,7,8,9b-hexahydrobenzo[g][1]benzofuran-2-one
248.32
1.8
1
3
46.53
0
[(E)-2-[[(3aS,4S,6Z,9R,10E,11aR)-9-acetyloxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl]oxycarbonyl]but-2-enyl] (E)-2-(hydroxymethyl)but-2-enoate
502.60
2.4
1
9
125.43
10
Prunetinoside
446.40
0.6
5
10
159.05
5
1,6,6-trimethyl-2,7-dihydro-1H-naphtho[1,2-g][1]benzofuran-10,11-dione
294.30
3.5
0
3
43.37
0
5,15-Dimethyl-3,8-dioxatetracyclo[8.8.0.02,6.011,16]octadeca-1(10),2(6),4,11,13,15,17-heptaene-7,9-dione
292.30
4
0
4
60.42
0
Sanggenon W
422.50
5.2
4
6
111.13
6
6,17-Epoxylathyrol
350.40
1.4
3
5
90.29
0
Seconeokadsuranic acid A
468.70
7.3
2
4
74.6
9
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