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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Pteleine
|
229.23
|
2.9
|
0
|
4
|
44.49
|
2
|
|
|
Neferine
|
624.80
|
6.7
|
1
|
8
|
72.86
|
10
|
|
|
Laminine
|
188.27
|
-1.6
|
1
|
3
|
66.15
|
5
|
|
|
[(1S,2R,4R,5R,6S,8R,10S,11S,12R,14R,15S,19R,20R,21S)-4,20,21-triacetyloxy-6-(furan-3-yl)-12,19-dihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.01,14.02,11.05,10.08,10]henicosan-16-yl] 2-methylpropanoate
|
702.70
|
1.9
|
2
|
14
|
197.63
|
10
|
|
|
Hirudonine
|
229.33
|
-2.2
|
5
|
3
|
140.83
|
9
|
|
|
2-Oxohexanoic acid
|
130.14
|
1
|
1
|
3
|
54.37
|
4
|
|
|
25-Anhydrocimigenol 3-o-beta-D-xyloside
|
602.80
|
5
|
4
|
8
|
117.84
|
3
|
|
|
(1R,2R,7R,10R,11S,14R,15S,16R)-7-hydroxy-16-[(2R)-5-(hydroxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]-10,14,16-trimethyl-17-oxapentacyclo[13.2.2.01,14.02,11.05,10]nonadec-4-en-9-one
|
470.60
|
2.6
|
2
|
6
|
93.06
|
2
|
|
|
(1R,2R,4R,5R,10R,11S,14R,15R,16S)-16-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-4,5,15-trihydroxy-10,14,16-trimethyl-17-oxapentacyclo[13.2.2.01,14.02,11.05,10]nonadec-7-en-9-one
|
486.60
|
1.7
|
3
|
7
|
113.29
|
1
|
|
|
(10S)-4,17-dimethoxy-2-oxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),15,18-hexaene-10,16-diol
|
358.40
|
3.5
|
2
|
5
|
68.15
|
2
|
|
|
(1S,2R,5S,8S,9S,10S,11S)-11-methyl-6-methylidene-12-oxo-13-oxapentacyclo[9.3.3.15,8.01,10.02,8]octadecane-9-carboxylic acid
|
330.40
|
3.3
|
1
|
4
|
63.6
|
1
|
|
|
(1R,2R,7R,10R,11S,14R,15S,16R)-16-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-10,14,16-trimethyl-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-oxapentacyclo[13.2.2.01,14.02,11.05,10]nonadec-4-en-9-one
|
616.70
|
1.7
|
4
|
10
|
151.98
|
4
|
|
|
[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E,3S)-3-hydroxy-N-sulfooxypent-4-enimidothioate
|
389.40
|
-1.9
|
6
|
12
|
220.02
|
8
|
|
|
methyl 2-[(14R,15S,19S)-14-[(10S,11R)-3,4,5,11,17,18,19-heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]-2,3,4,7,8,9-hexahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaen-19-yl]-3,4,5-trihydroxybenzoate
|
950.70
|
1.4
|
16
|
26
|
455.18
|
4
|
|
|
[(1S,2S,4S,5S,6S,10S)-2-(hydroxymethyl)-10-[(2S,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
|
524.50
|
-1.3
|
7
|
13
|
208.13
|
8
|
|
|
Qui(b1-3)[coumaroyl(-6)]Glc(b)-O-EtPh(4-OH)
|
592.60
|
0.2
|
7
|
13
|
204.83
|
11
|
|
|
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-2-[[(10R,12S,13R,14R,17R)-12-hydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,10,14-tetramethyl-1,2,3,5,6,7,8,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxan-3-yl]oxy-4,6-bis(hydroxymethyl)oxane-3,5-diol
|
785.00
|
4.4
|
9
|
13
|
218.99
|
11
|
|
|
(-)-alpha-Neoclovene
|
204.35
|
4.9
|
0
|
0
|
0
|
0
|
|
|
rel-(2R,3R)-2,3-Dihydro-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-3-methyl-5-benzofuranethanol
|
330.40
|
2.9
|
2
|
5
|
68.15
|
5
|
|
|
Pranferol
|
288.29
|
3
|
1
|
5
|
72.81
|
4
|
|
|
(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)phenoxy]oxane-3,4,5-triol
|
286.28
|
-0.8
|
5
|
7
|
119.61
|
4
|
|
|
(1R,9R,10S)-3-hydroxy-4,13-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,13-tetraen-12-one
|
329.40
|
2.3
|
1
|
5
|
59
|
2
|
|
|
2-Amino-3-(2-oxoindolin-3-yl)propanoic acid
|
220.22
|
-2.4
|
3
|
4
|
92.42
|
3
|
|
|
(1S,2R,4S,7S)-7-[(Z)-5-hydroxy-4-methylpent-3-enyl]-1,7-dimethylbicyclo[2.2.1]heptan-2-ol
|
238.37
|
3.4
|
2
|
2
|
40.46
|
4
|
|
|
(1S,11R,18R)-4,5,15,16,18-pentamethoxy-10-methyl-19-oxa-10-azatetracyclo[9.8.0.02,7.012,17]nonadeca-2,4,6,12(17),13,15-hexaene
|
415.50
|
2.6
|
0
|
7
|
58.62
|
5
|
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