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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
lancifodilactone H
444.60
3.6
2
5
83.83
0
2,3-Dimethyl-2-butanol
102.17
1.5
1
1
20.23
1
garcihombronane J
484.70
5.8
1
4
63.6
7
(3R)-8-hydroxy-3-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxy-3,4-dihydroisochromen-1-one
488.40
-1.8
7
13
204.83
5
(1S,16S,18R,20R,21S,22S,23R)-13-ethoxy-20-(hydroxymethyl)-17,19,24-trioxahexacyclo[14.8.1.02,7.08,25.09,14.018,23]pentacosa-2,4,6,8(25),9(14),10,12-heptaene-3,4,5,11,21,22-hexol
502.50
-0.2
7
11
178.53
3
(7R,16R)-11,18,19,21-tetrahydroxy-7-methyl-7-(4-methylpent-3-enyl)-16-prop-1-en-2-yl-2,8-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,10,17(22),18,20-octaen-13-one
502.60
6.7
4
7
120.36
4
5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
506.50
1.1
5
12
177.51
7
[(3S,4R,5S)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[4-(hydroxymethyl)phenoxy]oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl pyridine-3-carboxylate
523.50
-1.7
6
13
197.49
10
2-Hydroxyisobutyric acid
104.10
-0.4
2
3
57.53
1
(6S,6aS,9aS,9bR)-3-[2-[(3S,3aR,6S,6aS,9aS,9bR)-3,6a-dihydroxy-6,9a-dimethyl-2,9-dioxo-4,5,6,9b-tetrahydro-3aH-azuleno[4,5-b]furan-3-yl]ethyl]-6a-hydroxy-6,9a-dimethyl-4,5,6,9b-tetrahydroazuleno[8,7-b]furan-2,9-dione
540.60
0.9
3
9
147.43
3
Alpinnanin B
550.60
7.5
4
6
107.22
12
[(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 4-hydroxybenzoate
568.50
1.7
8
13
227.58
6
[(3S,4aR,6aS,6aR,6bR,8aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,6a,7,8,9,10,13,14,14a-tetradecahydropicen-3-yl] (Z)-3-(4-hydroxyphenyl)prop-2-enoate
572.90
11.7
1
3
46.53
4
methyl (1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4-dihydroxy-5-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylate
574.50
2.1
5
13
198.51
12
[(8S,9S,10S,11R)-3,9,19-trihydroxy-4,5-dimethoxy-9,10-dimethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-11-yl] (Z)-2-methylbut-2-enoate
584.60
4.6
3
11
150.21
8
12-Deoxyphorbaldehyde-13-hexadecanoate
584.80
8.5
2
6
100.9
17
(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-1,2,6a,6b,9,9,12a-heptamethyl-10-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-4,5,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-3H-picene-4a-carboxylic acid
586.80
4.6
4
7
116.45
3
Marianoside B
602.90
7.9
4
6
99.38
8
[(1S,2R,3R,5R,7S,10S,11R,14R,15S)-3-hydroxy-15-[(2S,3S,5R)-2-methoxy-5-[(1S,2R)-1,2,3-trihydroxy-2-methylpropyl]oxolan-3-yl]-2,6,6,10-tetramethyl-7-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl] 3-methylbut-2-enoate
618.80
5.7
4
8
125.68
8
Marianoside A
634.90
5.2
6
8
139.84
9
firmianone A
646.70
0.8
8
11
197.37
5
Sapinmusaponin F
779.00
4.5
6
12
176.76
8
Benzeneethanol-d5
127.19
1.4
1
1
20.23
2
(3aS,6aR,9aR,9bR)-3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one
230.30
2.6
0
2
26.3
0
(10bR)-8,9-dimethoxy-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline
233.31
2.3
0
3
21.7
2
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