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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
N-[1-[(13Z)-10-benzyl-16-methoxy-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.3.1.03,7]nonadeca-1(19),13,15,17-tetraen-6-yl]-3-methyl-1-oxobutan-2-yl]-2-formamido-3-methylbutanamide
|
633.70
|
3.8
|
4
|
7
|
155.17
|
9
|
|
|
[(1S,18S,20R,21R,22R)-6,7,8,11,12,13,21,22-octahydroxy-3,16-dioxo-2,17,19-trioxatetracyclo[16.3.1.04,9.010,15]docosa-4,6,8,10,12,14-hexaen-20-yl]methyl 3,4,5-trihydroxybenzoate
|
634.50
|
0.1
|
11
|
18
|
310.66
|
4
|
|
|
(1S,2R,4aS,6aR,6aS,6bR,8aR,9S,10R,11R,12aR,14bS)-10,11-dihydroxy-9-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
|
634.80
|
7.5
|
4
|
7
|
124.29
|
6
|
|
|
(1S,3S,4S,6S,7S,8R,11S,12S,15R,16R)-4-hydroxy-7,12,16-trimethyl-15-[(2R)-6-methylhept-5-en-2-yl]-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylic acid
|
634.80
|
5.7
|
6
|
9
|
156.91
|
8
|
|
|
[(1'S,2S,4R,4'S,6'R,9'S,10'R,13'R)-5',5',9'-trimethyl-2-[(1S,4R,9R,10R,13R,14R)-5,5,9-trimethyl-14-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]spiro[1,3-dioxolane-4,14'-tetracyclo[11.2.1.01,10.04,9]hexadecane]-6'-yl] acetate
|
635.00
|
11.7
|
0
|
4
|
44.76
|
3
|
|
|
[(2R,3R,4R,5R)-4,5-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-4-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxolan-2-yl]methyl 3,4,5-trihydroxybenzoate
|
636.50
|
0.1
|
11
|
18
|
310.66
|
11
|
|
|
D-Ribofuranose, 2-C-[[(3,4,5-trihydroxybenzoyl)oxy]methyl]-, 1,5-bis(3,4,5-trihydroxybenzoate)
|
636.50
|
0.1
|
11
|
18
|
310.66
|
11
|
|
|
(2S)-4-[(E)-2-[(2S)-2-carboxy-5-[(2S,3R,4S,5S,6R)-6-[(2-carboxyacetyl)oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-hydroxy-2,3-dihydroindol-1-yl]ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid
|
636.50
|
-1.5
|
8
|
18
|
290.48
|
12
|
|
|
Kaempferol 3-O-(6''-acetyl-galactoside) 7-O-rhamnoside
|
636.60
|
-0.6
|
8
|
16
|
255.27
|
8
|
|
|
4-methoxy-3-[4-[[(5S)-4-[(6-methoxy-2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)oxy]-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methyl]phenoxy]benzaldehyde
|
636.70
|
5.6
|
0
|
9
|
96
|
9
|
|
|
(1R,5R,8S)-8-hydroxy-1,5-dimethyl-8-[(E,3S)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-1-enyl]-6-oxabicyclo[3.2.1]octan-3-one
|
402.40
|
-2.2
|
5
|
9
|
145.91
|
5
|
|
|
(1S,1'R,5R,5'R,8'S,9R,9'R,10'S,11'R,14'S,16S,17'S,18'R,19S,21R)-10'-methoxy-5,5',7,7'-tetramethylspiro[20-oxa-7-azaheptacyclo[13.6.1.15,9.01,12.04,11.014,16.016,21]tricosa-4(11),12-diene-19,12'-7-azahexacyclo[9.6.2.01,8.05,17.09,14.014,18]nonadecane]
|
636.90
|
6.1
|
0
|
4
|
24.94
|
1
|
|
|
Scutellarin-7-diglucosidic acid
|
638.50
|
-0.6
|
10
|
18
|
303.57
|
7
|
|
|
3-[6-[[3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methoxycarbonyl]-2,3,4-trihydroxyphenoxy]-4,5-dihydroxybenzoic acid
|
638.50
|
-0.3
|
12
|
18
|
313.82
|
10
|
|
|
tricin 7-O-neohesperidoside
|
638.60
|
-0.3
|
8
|
16
|
247.43
|
8
|
|
|
5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
|
638.60
|
-0.8
|
8
|
16
|
247.43
|
8
|
|
|
[(2S,3R,4R,5R,6R)-3-hydroxy-5-[(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]oxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl] 3-(3,4-dihydroxyphenyl)propanoate
|
666.60
|
-0.2
|
8
|
16
|
251.36
|
13
|
|
|
12'-Apocapsorbinal
|
382.50
|
5.9
|
1
|
3
|
54.37
|
8
|
|
|
(2R,3R,4S,5S,6R)-2-[(2E,6E)-8-hydroxy-2,6-dimethylocta-2,6-dienoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
332.39
|
-0.1
|
5
|
7
|
119.61
|
8
|
|
|
(1S,2S,5S,6S,8R,9S,10S,11R,15S,18R)-9,10,15,18-tetrahydroxy-6-(methoxymethyl)-12,12-dimethyl-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one
|
396.50
|
-0.5
|
4
|
7
|
116.45
|
2
|
|
|
(1S,2S,5S,6R,8R,9S,10S,11R,15S,18R)-9,10,15,18-tetrahydroxy-6-(methoxymethyl)-12,12-dimethyl-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one
|
396.50
|
-0.5
|
4
|
7
|
116.45
|
2
|
|
|
Botryosphaerilactone C
|
272.34
|
1.5
|
1
|
5
|
64.99
|
4
|
|
|
Botryosphaerilactone A
|
272.34
|
1.5
|
1
|
5
|
64.99
|
4
|
|
|
Botryosphaerinone
|
210.27
|
1.5
|
1
|
3
|
54.37
|
5
|
|
|
[(3S)-1-(4-hydroxyphenyl)-5-oxo-7-phenylheptan-3-yl] acetate
|
340.40
|
3.7
|
1
|
4
|
63.6
|
10
|
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