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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
Schisandrin B
400.50
5.1
0
6
55.38
4
[(1aR,3aR,4R,5S,7S,7aS,7bS)-5-hydroxy-4,5,7a,7b-tetramethyl-4-[(E)-2-(5-oxo-2H-furan-3-yl)ethenyl]-1a,2,3,3a,6,7-hexahydronaphtho[1,2-b]oxiren-7-yl] benzoate
452.50
3.7
1
6
85.36
5
Spinonin
460.40
0.8
6
10
166.14
6
Sibiricose A3
462.40
-2.4
8
13
215.83
8
CID 10813930
462.60
5.1
0
4
52.6
1
Isoquercitin
464.40
0.4
8
12
210.51
4
Gnetuhainin A
470.50
5
6
7
130.61
4
(1R,8S,9R,16R)-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaene-4,6,9,12-tetrol
470.50
3.8
6
7
130.61
2
Nigranoic acid
470.70
8.5
2
4
74.6
9
(2S)-2-[(3S,4S,5R,9R,10R,13S,14S,17S)-3-hydroxy-4-(hydroxymethyl)-4,10,13,14-tetramethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-enoic acid
472.70
7.1
3
4
77.76
6
methyl 3-[(1R,3aR,4S,4'S,5S)-1',4,4'-trimethyl-4'-[(1Z,2R)-1-(4-methyl-5-oxofuran-2-ylidene)propan-2-yl]-5-prop-1-en-2-ylspiro[3,3a,5,6-tetrahydro-2H-indene-1,5'-cyclopentene]-4-yl]propanoate
478.70
6.9
0
4
52.6
7
(2R)-4,5-dimethyl-2-[(1S)-1-[(5R,6S,7R,8S,9S,10R,12S,13R,14S,17R)-5,6,7,12-tetrahydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-17-yl]ethyl]-2,3-dihydropyran-6-one
488.60
2.3
4
7
124.29
2
Nipponogenin E
488.70
5.2
4
5
97.99
3
quadrangularic acid K
488.70
6
4
5
97.99
5
Justin C
490.50
4
1
9
109.75
15
[(1R,2R,6S,10S,11R,13S,14R,15R)-1-hydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-13-(2-methylpropanoyloxy)-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] (E)-2-methylbut-2-enoate
500.60
3.3
2
7
110.13
7
quadrangularic acid J
502.70
6.6
3
5
86.99
6
Balsaminone B
506.50
2.7
4
10
155.89
4
methyl (1R,2R,3S,3aR,8bS)-1,8b-dihydroxy-3a-(3-hydroxy-4-methoxyphenyl)-6,8-dimethoxy-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylate
508.50
2.9
3
9
123.91
7
3'-Hydroxyrocaglamide
521.60
2.5
3
8
117.92
6
(2S)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoyl]oxypropanoic acid
522.50
0.6
8
13
223.67
10
(1S,3S,4S,6S,7S,8R,11S,12S,15R,16R)-4-acetyloxy-6-hydroxy-7,12,16-trimethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylic acid
528.80
9
2
5
83.83
8
Narizoside
546.70
2.9
2
8
103.68
5
1-O-[(2S,3S,6R)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-3-yl] 4-O-methyl (2R,3R)-2,3-dihydroxy-2-(3-hydroxy-3-methylbutyl)butanedioate
547.60
-0.1
3
11
144.22
10
[(3S,4R,5S)-5-[(2S,3R,4S,5S,6R)-2-(4-acetylphenoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl 4-hydroxybenzoate
550.50
-0.5
6
13
201.67
10
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