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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,5R,6R,13R,21S)-5,13-bis(3,4-dihydroxyphenyl)-21-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19-tetrol
738.60
0.8
12
17
288.91
5
2H-1-Benzopyran-2-one, 7-[[(1R,2S,4aS,6S,8aR)-decahydro-2,6-dihydroxy-2,5,5,8a-tetramethyl-1-naphthalenyl]methoxy]-
400.50
4.2
2
5
79.9
3
(1S,13S,16R,18S)-18-methoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraen-13-ol
331.40
1
1
6
60.39
1
(Z)-1-[2,4-dihydroxy-3-(5-hydroxy-5-methyl-2-prop-1-en-2-ylhexyl)-6-methoxyphenyl]-3-(2,4-dihydroxyphenyl)-2-hydroxyprop-2-en-1-one
472.50
5.1
6
8
147.68
10
7-[[(1R,4aS,8aS)-2,5,5,8a-tetramethyl-6-oxo-4,4a,7,8-tetrahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one
380.50
4.4
0
4
56.51
3
5,9-Dihydroxy-8-methoxy-2-methyl-2-(4-methylpent-3-enyl)pyrano[3,2-b]xanthen-6-one
408.40
5.6
2
6
89.13
4
10,22-Dihydroxy-7,18,18-trimethyl-7-(4-methylpent-3-enyl)-8,13,17-trioxapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4(9),10,14,16(21),19-heptaen-2-one
462.50
6.7
2
6
89.13
3
5,8-Dihydroxy-9-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)pyrano[3,2-b]xanthen-6-one
408.40
5.6
2
6
89.13
3
5,11-Dihydroxy-9-methoxy-3,3-dimethyl-10-(3-methylbut-2-enyl)-1,2-dihydropyrano[3,2-a]xanthen-12-one
410.50
5.7
2
6
89.13
3
(1S,2S,5S,8S,9S,10S,11R,15S,18R)-9,10,15,18-tetrahydroxy-12,12-dimethyl-6-methylidene-17-azapentacyclo[7.6.2.15,8.01,11.02,8]octadec-16-en-7-one
361.40
-0.7
4
6
110.35
0
Notoserolide B
346.40
2.5
0
5
69.67
4
5,7-dihydroxy-2-(4-methoxyphenyl)-3-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
462.40
1
6
11
179.28
5
2-(3,5-Dihydroxyphenyl)-6,7-benzofurandiol
258.23
2.6
4
5
94.06
1
Morunigrol C
308.30
4.2
2
4
62.83
1
methyl (1S,4aS,5R,7S,7aS)-7-acetyloxy-1-[(2S,3R,4S,5S,6R)-6-(formyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-7-methyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate
476.40
-2
4
13
187.51
9
methyl (1S,4aS,5R,7S,7aS)-5,7-diacetyloxy-1-[(2S,3R,4S,5S,6R)-6-(formyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-7-methyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate
518.50
-1.4
3
14
193.58
11
(1S,4aS,5R,7S,7aS)-1-[(2S,3R,4S,5S,6R)-6-(formyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-5,7-dihydroxy-7-methyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid
420.40
-2.9
6
12
192.44
6
(1S,4aS,5R,7S,7aS)-5-formyloxy-7-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid
420.40
-2.4
6
12
192.44
6
(1S,4aS,5R,7S,7aS)-7-acetyloxy-5-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid
594.60
0.3
5
14
207.74
11
(1S,4aS,5R,7S,7aS)-7-acetyloxy-5-[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]oxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid
594.60
0.3
5
14
207.74
11
(1S,4aS,5R,7S,7aS)-7-acetyloxy-5-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid
434.40
-2.4
6
12
192.44
6
7-hydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
564.50
-1.8
8
14
228.97
6
8-[(2S,3R,4S,5S,6R)-6-[[(2S,3S,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one
564.50
-1.5
8
14
228.97
7
7-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
462.40
0.3
6
11
179.28
5
8-[(2S,3R,4S,5S,6R)-6-[[(2S,3S,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-7-hydroxy-3-(4-hydroxy-3-methoxyphenyl)chromen-4-one
594.50
-1.5
8
15
238.2
8
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