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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxyoxan-2-yl]methyl acetate
|
697.60
|
|
9
|
17
|
275.05
|
11
|
|
|
(2S,3R)-8,10-dihydroxy-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-[1,4]dioxino[2,3-c]xanthen-7-one
|
438.40
|
3
|
4
|
9
|
138.82
|
3
|
|
|
dimethyl (1S,5R,6S,7S,8R,11S,12R,14R,15R)-7,14-dihydroxy-6-[(1S,2S,6S,8S,9R,11S)-3-hydroxy-11-methyl-5,7,10-trioxatetracyclo[6.3.1.02,6.09,11]dodec-3-en-9-yl]-6-methyl-12-[(E)-2-methylbut-2-enoyl]oxy-3,9-dioxatetracyclo[6.6.1.01,5.011,15]pentadecane-4,11-dicarboxylate
|
662.70
|
0
|
3
|
14
|
189.04
|
8
|
|
|
Tuliposide D
|
376.36
|
-1.6
|
5
|
10
|
162.98
|
11
|
|
|
(2S,3S,10R)-11,16,18-trioxa-4-azapentacyclo[11.7.0.02,10.03,7.015,19]icosa-1(20),7,13,15(19)-tetraen-12-one
|
285.29
|
1.4
|
1
|
5
|
56.79
|
0
|
|
|
(2S,3S,10R,12S)-4-methyl-11,16,18-trioxa-4-azapentacyclo[11.7.0.02,10.03,7.015,19]icosa-1(20),7,13,15(19)-tetraen-12-ol
|
301.34
|
1.1
|
1
|
5
|
51.16
|
0
|
|
|
(1S,2R,7S,10R,11S,13R,14S,15R,16S,17R,20S,23S)-14-(hydroxymethyl)-10,16,20-trimethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-ene-7,13-diol
|
429.60
|
4.1
|
3
|
4
|
63.93
|
1
|
|
|
(3S,8R,9S,10R,12R,13S,14S,17R)-10,13-dimethyl-17-[(1S)-1-[(2S,5S)-5-methylpiperidin-2-yl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol
|
415.70
|
5.2
|
3
|
3
|
52.49
|
2
|
|
|
(5S)-6-methylspiro[7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline-5,7'-9H-[1,3]dioxolo[4,5-h]isochromene]-6'-one
|
367.40
|
2.5
|
0
|
7
|
66.46
|
0
|
|
|
(1S,3R,6S,8R,11S,12S,15R,16R)-15-[(2R,5S)-5,6-dimethylheptan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
|
442.80
|
10.5
|
1
|
1
|
20.23
|
5
|
|
|
2,2-Dimethylchromene-5-carboxylic acid
|
204.22
|
2.4
|
1
|
3
|
46.53
|
1
|
|
|
(1S,4aS,7S,7aS)-1-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(E)-3-phenylprop-2-enoyl]oxyoxan-2-yl]oxy-7-hydroxy-7-methyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid
|
506.50
|
0.7
|
5
|
11
|
172.21
|
8
|
|
|
(1S,4aS,7S,7aS)-1-[(2S,3R,4S,5S,6R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-hydroxy-7-methyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid
|
538.50
|
0
|
7
|
13
|
212.67
|
8
|
|
|
O-Methyl-4-[(2',3',4'-tri-O-acetyl-alpha-L-rhamnosyloxy)benzyl]carbamate
|
453.40
|
1.5
|
1
|
10
|
135.69
|
11
|
|
|
4-Hydroxyphenylacetonitrile triacetylrhamnoside
|
405.40
|
1.6
|
0
|
9
|
121.15
|
9
|
|
|
3-[(Z)-heptadec-10-enyl]-5-methoxyphenol
|
360.60
|
9.5
|
1
|
2
|
29.46
|
16
|
|
|
[(2R,3R,4R,5R,6R)-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)oxan-3-yl] (Z)-3-(3,4-dihydroxyphenyl)prop-2-enoate
|
786.70
|
-2.1
|
12
|
20
|
324.44
|
14
|
|
|
(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-(3-methylbut-2-enoxy)-2,3-dihydrochromen-4-one
|
372.40
|
3.3
|
4
|
7
|
116.45
|
4
|
|
|
(12S)-18,19-dimethoxy-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaene-13-carbaldehyde
|
353.40
|
2.7
|
0
|
5
|
57.23
|
2
|
|
|
[(1S,3S,5S,8E,11R)-3-methyl-12-methylidene-13-oxo-4,14-dioxatricyclo[9.3.0.03,5]tetradec-8-en-8-yl]methyl acetate
|
306.40
|
1.7
|
0
|
5
|
65.13
|
3
|
|
|
Laxiflorin B
|
344.40
|
2.2
|
1
|
5
|
80.67
|
1
|
|
|
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-[(2S,3R,4R,6S)-4-hydroxy-6-methyl-5-oxo-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]chromen-4-one
|
590.50
|
0
|
7
|
14
|
225.81
|
5
|
|
|
(2S,4aR,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,3R,4S,5R)-3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-9-(hydroxymethyl)-2-methoxycarbonyl-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
957.10
|
0.7
|
10
|
19
|
301.05
|
11
|
|
|
2-O-methyl 4a-O-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2S,4aR,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,3R,4S,5R)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylate
|
973.10
|
0
|
11
|
20
|
321.28
|
12
|
|
|
Niazicinin A
|
369.40
|
0.4
|
3
|
8
|
123.55
|
7
|
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