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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
methyl (2S,4aS,6S,10aR,10bS)-2-(furan-3-yl)-4a-hydroxy-10b-methyl-4-oxo-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,5,6,8,9,10,10a-octahydrobenzo[f]isochromene-7-carboxylate
|
538.50
|
-0.5
|
5
|
12
|
185.35
|
6
|
|
|
(1R,5R,6S,7S,13S,21R)-5,13-bis(3,4-dihydroxyphenyl)-7-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol
|
864.80
|
3.3
|
14
|
18
|
320.14
|
4
|
|
|
(2S,3S,7S)-3-(3,5-dihydroxyphenyl)-4-hydroxy-7-(4-hydroxy-2-methoxyphenyl)-2-(4-hydroxyphenyl)-9-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2,3,6,7-tetrahydrofuro[3,2-g]chromen-5-one
|
664.70
|
8.4
|
5
|
9
|
145.91
|
9
|
|
|
(2R,3S,7S)-3-(3,5-dihydroxyphenyl)-4-hydroxy-7-(4-hydroxy-2-methoxyphenyl)-2-(4-hydroxyphenyl)-9-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2,3,6,7-tetrahydrofuro[3,2-g]chromen-5-one
|
664.70
|
8.4
|
5
|
9
|
145.91
|
9
|
|
|
(1R,2S,3R,4R,5S,7R,8R,12R,13S,21R)-4,12-dimethyl-14,19-dioxa-17-azaheptacyclo[10.7.2.22,5.02,7.08,18.08,21.013,17]tricosane-3,4-diol
|
375.50
|
2.1
|
2
|
5
|
62.16
|
0
|
|
|
(1R,2S,3R,4S,5S,7R,8R,12R,13S,21R)-4,12-dimethyl-14,19-dioxa-17-azaheptacyclo[10.7.2.22,5.02,7.08,18.08,21.013,17]tricosane-3,4-diol
|
375.50
|
2.1
|
2
|
5
|
62.16
|
0
|
|
|
[(1R,5R,8R,10R,11R,12S,14S,16R,17S)-7-(2-hydroxyethyl)-5-methyl-13-methylidene-6-oxo-9-oxa-7-azahexacyclo[8.6.2.211,14.01,8.05,17.011,16]icosan-12-yl] acetate
|
415.50
|
2.1
|
1
|
5
|
76.07
|
4
|
|
|
[(2R,3R,4R,5R,6R)-4-[(2S,3R,4S,5R,6S)-5-acetyloxy-3,4-dihydroxy-6-methyloxan-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
|
694.70
|
0.7
|
6
|
16
|
229.36
|
15
|
|
|
[(2R,3R,4R,5R,6R)-4-[(2S,3R,4R,5S,6S)-4-acetyloxy-3,5-dihydroxy-6-methyloxan-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
|
694.70
|
0.7
|
6
|
16
|
229.36
|
15
|
|
|
[(2R,3R,4R,5R,6R)-4-[(2S,3R,4R,5R,6S)-3-acetyloxy-4,5-dihydroxy-6-methyloxan-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
|
694.70
|
0.7
|
6
|
16
|
229.36
|
15
|
|
|
[(2R,4aS,5R,8aR)-6-(dimethoxymethyl)-5-formyl-1,1,4a-trimethyl-2,3,4,5,8,8a-hexahydronaphthalen-2-yl] acetate
|
338.40
|
2.3
|
0
|
5
|
61.83
|
6
|
|
|
methyl (1S,2R,4R,7E,9S,10S,11R)-9-acetyloxy-4-methyl-12-methylidene-10-(2-methylprop-2-enoyloxy)-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-ene-8-carboxylate
|
434.40
|
2
|
0
|
9
|
117.73
|
7
|
|
|
(1R,2R,4S,6S,9S,10S,13S,16R)-2,6,16-trihydroxy-9-(hydroxymethyl)-5,5-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-15-one
|
350.40
|
0.8
|
4
|
5
|
97.99
|
1
|
|
|
Octacosyl (z)-p-coumarate
|
556.90
|
16.1
|
1
|
3
|
46.53
|
30
|
|
|
[(1R,2R,3S,5S,7R,8R,12R,13R,21R)-12-methyl-4-methylidene-14,19-dioxa-17-azaheptacyclo[10.7.2.22,5.02,7.08,18.08,21.013,17]tricosan-3-yl] acetate
|
399.50
|
3.5
|
0
|
5
|
48
|
2
|
|
|
Graminonea
|
372.40
|
2
|
2
|
7
|
94.45
|
4
|
|
|
(1R,3S,5aS,7S,9aS,9bR)-1,3-dimethoxy-7,9a-dimethyl-6-methylidene-1,3,5,5a,7,8,9,9b-octahydrobenzo[e][2]benzofuran
|
278.40
|
2.8
|
0
|
3
|
27.69
|
2
|
|
|
(1R,3R,5aS,7S,9aS,9bR)-1,3-dimethoxy-7,9a-dimethyl-6-methylidene-1,3,5,5a,7,8,9,9b-octahydrobenzo[e][2]benzofuran
|
278.40
|
2.8
|
0
|
3
|
27.69
|
2
|
|
|
[(1R,3S,5aR,7S,9aS,9bR)-1,3-dimethoxy-6,6,9a-trimethyl-1,3,5,5a,7,8,9,9b-octahydrobenzo[e][2]benzofuran-7-yl] acetate
|
338.40
|
2.7
|
0
|
5
|
53.99
|
4
|
|
|
[(1R,3R,5aR,7S,9aS,9bR)-1,3-dimethoxy-6,6,9a-trimethyl-1,3,5,5a,7,8,9,9b-octahydrobenzo[e][2]benzofuran-7-yl] acetate
|
338.40
|
2.7
|
0
|
5
|
53.99
|
4
|
|
|
15-Methyl-7,9,19,21-tetraoxa-15-azapentacyclo[15.7.0.04,12.06,10.018,22]tetracosa-1(17),4,6(10),11,18(22),23-hexaene-3,16-dione
|
367.40
|
2.4
|
0
|
6
|
74.3
|
0
|
|
|
8,9b-Bis(7-hydroxy-4-oxochromen-3-yl)-4,4a-dihydrodibenzofuran-3-one
|
506.50
|
3.7
|
2
|
8
|
127.18
|
2
|
|
|
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(3R,25S,27R)-3,25,27-trihydroxyoctacosoxy]oxane-3,4,5-triol
|
620.90
|
7.8
|
7
|
9
|
160.07
|
29
|
|
|
(2S,4aR,6aR,7R,10aS,10bS)-2-(furan-3-yl)-6a,10b-dimethyl-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,4a,5,6,7,10,10a-octahydrobenzo[f]isochromen-4-one
|
478.50
|
1.3
|
4
|
9
|
138.82
|
4
|
|
|
(2S,3R,4S,5S)-2-[[(3S,8S,9S,10R,13S,14S,17S)-17-[(1R)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol
|
450.60
|
2.8
|
4
|
6
|
99.38
|
3
|
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