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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
2-(3,4-Dihydroxyphenyl)-3-[(O-I(2)-D-glucopyranosyl-(1a2)-O-I(2)-D-galactopyranosyl-(1a2)-I(2)-D-glucopyranosyl)oxy]-5,7-dihydroxy-4H-1-benzopyran-4-one
|
788.70
|
-2.8
|
14
|
22
|
368.81
|
10
|
|
|
3-[(O-I(2)-D-Glucopyranosyl-(1a2)-O-I(2)-D-galactopyranosyl-(1a2)-I(2)-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
|
772.70
|
-2.5
|
13
|
21
|
348.58
|
10
|
|
|
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-[[O-6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]-I(2)-D-glucopyranosyl-(1a2)-O-I(2)-D-galactopyranosyl-(1a2)-I(2)-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one
|
964.80
|
-1.1
|
14
|
25
|
404.34
|
15
|
|
|
(1R,2S,6S,9S,10R)-6-hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-one
|
264.36
|
1.2
|
1
|
3
|
43.78
|
0
|
|
|
(1R,9S,10R,12S)-12-hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-2-en-8-one
|
262.35
|
0.5
|
1
|
3
|
43.78
|
0
|
|
|
(1R,2R,5S,8R,9R,10R,13S,14S,18S)-15-formyl-1,2,14,17,17-pentamethyl-8-prop-1-en-2-ylpentacyclo[11.7.0.02,10.05,9.014,18]icos-15-ene-5-carboxylic acid
|
452.70
|
8
|
1
|
3
|
54.37
|
3
|
|
|
methyl 2-[(1R,2S,4S,6R,9R,10S,11R,15R,18S)-6-(furan-3-yl)-7,9,11,15-tetramethyl-12-oxo-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadeca-7,13-dien-10-yl]acetate
|
452.50
|
2.4
|
0
|
6
|
74.97
|
4
|
|
|
methyl (4S,5Z,6S)-5-ethylidene-4-[2-[[(1S,2R,3R,5S)-3-hydroxy-5-(1-hydroxypropan-2-yl)-2-methylcyclopentyl]methoxy]-2-oxoethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
|
574.60
|
-0.8
|
6
|
13
|
201.67
|
12
|
|
|
Naringin 4'-glucoside
|
742.70
|
-2.3
|
11
|
19
|
304.21
|
9
|
|
|
(1R,2R,10R,11S,14R,15S,16S)-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]nonadeca-4,7-dien-9-one
|
452.60
|
3.8
|
1
|
5
|
72.83
|
2
|
|
|
(1R,2R,10R,11S,14R,15R,16R)-16-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-15-hydroxy-10,14,16-trimethyl-17-oxapentacyclo[13.2.2.01,14.02,11.05,10]nonadeca-4,7-dien-9-one
|
452.60
|
3.4
|
1
|
5
|
72.83
|
1
|
|
|
(1R,2R,10R,11S,14R,15S,16S)-16-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-10,14,16-trimethyl-17-oxapentacyclo[13.2.2.01,14.02,11.05,10]nonadeca-4,7-dien-9-one
|
436.60
|
4.5
|
0
|
4
|
52.6
|
1
|
|
|
5-[(6,7-dimethoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-1-yl)methyl]-2-methoxyphenol
|
358.50
|
3.4
|
1
|
4
|
47.92
|
5
|
|
|
(3S,5S,8S,9S,10R,13S,14S,17R)-17-[(2S,3R,4R,5R)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
|
773.00
|
1.9
|
9
|
14
|
236.06
|
11
|
|
|
(3S,5S,8S,9S,10R,13S,14S,17R)-17-[(2S,3R,4R,5R)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-3-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
|
773.00
|
1.9
|
9
|
14
|
236.06
|
11
|
|
|
[(5S,6E,9S,10E,11aR)-5-acetyloxy-3-(hydroxymethyl)-6,10-dimethyl-2-oxo-5,8,9,11a-tetrahydro-4H-cyclodeca[b]furan-9-yl] acetate
|
364.40
|
0.7
|
1
|
7
|
99.13
|
5
|
|
|
(E)-N-[(5R,8R,9S,10R,13S,14S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-4-oxo-1,5,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-yl]-2-methylbut-2-enamide
|
438.60
|
5.4
|
1
|
3
|
49.41
|
4
|
|
|
4-[(2R,3S,4S,5R)-4-(ethoxymethyl)-5-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)oxolan-2-yl]-2-methoxyphenol
|
404.50
|
2.2
|
3
|
7
|
97.61
|
8
|
|
|
[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
618.90
|
10.6
|
2
|
5
|
75.99
|
7
|
|
|
[(2R,3R,4R,5R,6R)-4-[(2S,3R,4R,5S,6S)-3,4-diacetyloxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-2-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
898.90
|
-0.3
|
8
|
22
|
314.58
|
20
|
|
|
[(2R,3R,4R,5R,6R)-4-[(2S,3R,4R,5S,6S)-3,4-diacetyloxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-2-(hydroxymethyl)oxan-3-yl] (Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
898.90
|
-0.3
|
8
|
22
|
314.58
|
20
|
|
|
[(1aR,3S,3aR,4R,5R,6R,7aS)-6-[(2S,3R,4R)-2-(acetyloxymethyl)-3-(2-methoxy-2-oxoethyl)-2,4-dimethyl-7-oxo-3H-oxepin-4-yl]-5-formyloxy-3-(furan-3-yl)-3a-methyl-7-methylidene-1a,2,3,4,5,6-hexahydroindeno[1,7a-b]oxiren-4-yl] (2R,3R)-2-hydroxy-3-methylpentanoate
|
686.70
|
3.5
|
1
|
13
|
177.4
|
15
|
|
|
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate
|
356.32
|
-0.3
|
5
|
9
|
145.91
|
6
|
|
|
[(3S,4S,5R,6S)-5-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-[(1S,2S,4S,6R,7S,8R,9S,12S,13R,14R,16R)-16-hydroxy-7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl]oxyoxan-3-yl] acetate
|
911.00
|
0.4
|
8
|
18
|
261.98
|
9
|
|
|
Isoengeletin
|
434.40
|
0.7
|
6
|
10
|
166.14
|
3
|
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