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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
1,6-Dihydroxy-3,5-dimethoxy-2-(3-methylbut-2-enyl)xanthen-9-one
|
356.40
|
4.7
|
2
|
6
|
89.13
|
4
|
|
|
Cowagarcinone D
|
462.50
|
7.2
|
3
|
6
|
100.13
|
5
|
|
|
(2Z)-2-[(4S)-4-[1-(1H-indol-2-yl)ethenyl]-1-methylpiperidin-3-ylidene]ethanol
|
282.40
|
2.6
|
2
|
2
|
39.26
|
3
|
|
|
(2S,3R)-2-hydroxy-3-[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxybutanedioic acid
|
296.23
|
0.4
|
4
|
8
|
141.36
|
7
|
|
|
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
|
592.50
|
1.4
|
5
|
14
|
199.9
|
13
|
|
|
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (E)-3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enoate
|
372.32
|
-0.7
|
6
|
10
|
166.14
|
6
|
|
|
[(2R,3S,4S,5R,6R)-6-[[(2R,3S,4S,5R,6S)-3,4-dihydroxy-5,6-bis[[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy]oxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
|
960.90
|
1.5
|
8
|
23
|
323.81
|
22
|
|
|
3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
772.70
|
-2.7
|
13
|
21
|
348.58
|
10
|
|
|
(1E,4aR,4bS,7S,8aS,10aS)-7-ethenyl-1-(hydroxymethylidene)-4b,7,10a-trimethyl-4,4a,5,6,8,8a,9,10-octahydro-3H-phenanthren-2-one
|
302.50
|
6
|
1
|
2
|
37.3
|
1
|
|
|
Momordicoside L
|
634.80
|
3.1
|
6
|
9
|
156.91
|
8
|
|
|
Marsdenoside B
|
833.00
|
4.3
|
2
|
14
|
178.04
|
13
|
|
|
[(1S,3R,6R,7S,8S,9S,10S,11S,14S,16S)-6-acetyl-14-[(2R,4R,5R,6R)-5-[(2S,3R,4R,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-9-hydroxy-7,11-dimethyl-2-oxapentacyclo[8.8.0.01,3.03,7.011,16]octadecan-8-yl] 2-methylbutanoate
|
752.90
|
2.7
|
3
|
13
|
171.97
|
11
|
|
|
[(1S,3R,6R,7S,8S,9S,10S,11S,14S,16S)-6-acetyl-8-acetyloxy-14-[(2R,4R,5R,6R)-5-[(2S,3R,4R,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-7,11-dimethyl-2-oxapentacyclo[8.8.0.01,3.03,7.011,16]octadecan-9-yl] propanoate
|
766.90
|
2.3
|
2
|
14
|
178.04
|
12
|
|
|
[(1S,3R,6R,7S,8S,9S,10S,11S,14S,16S)-6-acetyl-8-acetyloxy-14-[(2R,4R,5R,6R)-5-[(2S,3R,4S,5R,6R)-3-hydroxy-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-7,11-dimethyl-2-oxapentacyclo[8.8.0.01,3.03,7.011,16]octadecan-9-yl] 2-methylbutanoate
|
957.10
|
1.7
|
5
|
19
|
257.19
|
16
|
|
|
(-)-Cinchonidine
|
294.40
|
2.7
|
1
|
3
|
36.36
|
3
|
|
|
methyl 2-[(1R,3R,4R,5R,10S,14S,15R,18S,19R,20R,22S)-3,22-diacetyloxy-5-(furan-3-yl)-15,16-dihydroxy-4,12,18,20-tetramethyl-7-oxo-6,11,13,21-tetraoxaheptacyclo[10.8.1.115,18.01,10.04,9.010,14.016,20]docos-8-en-19-yl]acetate
|
658.60
|
-0.2
|
2
|
14
|
186.49
|
8
|
|
|
3-[3-[5-[(E)-2-carboxyethenyl]-2-hydroxy-3-methoxyphenyl]-4-hydroxy-5-methoxyphenyl]-2-[4-[(E)-2-carboxyethenyl]-2-methoxyphenoxy]-3-hydroxypropanoic acid
|
596.50
|
3.1
|
6
|
13
|
209.51
|
13
|
|
|
methyl (1S,14S,15E,18S)-18-(acetyloxymethyl)-15-ethylidene-17-methyl-12-oxo-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate
|
424.50
|
2.1
|
1
|
6
|
88.7
|
5
|
|
|
N-[2-(1H-indol-3-yl)ethyl]tetracosanamide
|
510.80
|
13.5
|
2
|
1
|
44.89
|
25
|
|
|
(2E,8S,9Z)-heptadeca-2,9,16-trien-4,6-diyn-8-ol
|
242.36
|
4.9
|
1
|
1
|
20.23
|
8
|
|
|
Sesamolin
|
370.40
|
3
|
0
|
7
|
64.61
|
3
|
|
|
Phloretin-2'-O-(2''-O-xylosylglucoside)
|
568.50
|
-0.2
|
9
|
14
|
236.06
|
10
|
|
|
(2S,5R)-5-(1H-indol-3-yl)-4-oxo-2,3,5,6-tetrahydro-1H-azepino[4,5-b]indole-2-carboxylic acid
|
359.40
|
2.8
|
4
|
3
|
97.98
|
2
|
|
|
Malassezindole B
|
375.40
|
2
|
5
|
4
|
118.21
|
2
|
|
|
Malassezialactic acid
|
334.40
|
3.3
|
4
|
3
|
89.11
|
5
|
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