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Physicochemical properties (MW, LogP) of all entries.
| 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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