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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
(E)-1-[2,4-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-one
464.40
1
7
11
186.37
7
2-(2,4-Dihydroxy-5-methoxyphenyl)-5,6,7,8-tetramethoxychromen-4-one
404.40
2.3
2
9
116.82
6
7-Hydroxy-5,6,8,3'-tetramethoxy-4',5'-methylenedioxyflavone
402.40
2.5
1
9
105.82
5
Agecorynin D
390.30
2.6
3
9
127.82
5
(2S,3S,4S,5R,6S)-6-[5,8-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)chromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
494.40
0
9
14
247.81
4
Methyl 6-{[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylate
476.40
1.1
6
12
196.35
5
Scutellarin methylester
476.40
1.1
6
12
196.35
5
Quercetin 5,3'-dimethyl ether
330.29
1.6
3
7
109.36
3
Quercetin 3,5,3'-trimethyl ether
344.30
2.6
2
7
98.36
4
6''-Malonylastragalin
534.40
0.4
7
14
233.65
8
kaempferol 3-O-beta-D-(6''-O-malonyl)-glucoside
534.40
0.4
7
14
233.65
8
3-[[6-[4,5-dihydroxy-6-(hydroxymethyl)-2-[[12-hydroxy-4,4,8,10,14-pentamethyl-17-[6-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid
1033.20
2.1
12
21
341.51
17
Malonyl ginsenoside Rd
1033.20
2.1
12
21
341.51
17
3-[[6-[4,5-dihydroxy-6-(hydroxymethyl)-2-[[12-hydroxy-4,4,8,10,14-pentamethyl-17-[6-methyl-2-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid
1165.30
0.1
14
25
400.43
19
3-[[(2R,3S,4S,5R,6S)-6-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid
1165.30
0.1
14
25
400.43
19
[(E)-3-(4-hydroxyphenyl)prop-2-enyl] 3-phenylprop-2-enoate
280.30
4.1
1
3
46.53
6
Hipposterol
420.70
6.4
3
3
60.69
7
4-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,5-dihydroxybenzaldehyde
274.35
4.5
2
3
57.53
6
(e)-3,5,4'-Trihydroxy-4-geranylstilbene
364.50
6.9
3
3
60.69
7
9-(Hydroxymethyl)-3,6-dimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione
262.30
0.4
1
4
63.6
1
Jacquilenin
262.30
0.4
1
4
63.6
1
(3R,3aS,9aS,9bS)-9-(hydroxymethyl)-3,6-dimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione
262.30
0.4
1
4
63.6
1
6-hydroxy-9-(hydroxymethyl)-3,6-dimethyl-3a,4,5,6a,9a,9b-hexahydro-3H-azuleno[4,5-b]furan-2,7-dione
280.32
-0.4
2
5
83.83
1
(3S,3aS,6S,6aR,9aR,9bS)-6-hydroxy-9-(hydroxymethyl)-3,6-dimethyl-3a,4,5,6a,9a,9b-hexahydro-3H-azuleno[4,5-b]furan-2,7-dione
280.32
-0.4
2
5
83.83
1
6-Hydroxy-9-(hydroxymethyl)-6-methyl-3-methylidene-3a,4,5,6a,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione
278.30
-0.5
2
5
83.83
1
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