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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(2R,3S,4R,5R,6R)-6-[[(12S)-2-(3,4-dihydroxyphenyl)-5,9,10-trihydroxy-4-oxo-3-[(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]oxy-12H-pyrano[2,3-a]xanthen-12-yl]methoxy]-4,5-dihydroxy-2-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
|
1231.10
|
-2.3
|
18
|
31
|
503.72
|
16
|
|
|
[(2R,3S,4R,5R,6R)-6-[2-[2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-3-[(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-8-yl]-4,5-dihydroxyphenyl]ethoxy]-4,5-dihydroxy-2-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
|
1233.10
|
-2.1
|
19
|
31
|
514.72
|
18
|
|
|
[(1S,2S,3R,4S,5S,6R)-2,3,6-trihydroxy-4,5-bis[[(Z)-2-methylbut-2-enoyl]oxy]cyclohexyl] (Z)-2-methylbut-2-enoate
|
426.50
|
1.6
|
3
|
9
|
139.59
|
9
|
|
|
[(1S,2R,3S,4R,5R,6S)-3-acetyloxy-2,5-dihydroxy-4,6-bis[[(Z)-2-methylbut-2-enoyl]oxy]cyclohexyl] (Z)-2-methylbut-2-enoate
|
468.50
|
2.2
|
2
|
10
|
145.66
|
11
|
|
|
[(1S,2R,3R,4S,5S,6R)-3-acetyloxy-2,6-dihydroxy-4,5-bis[[(Z)-2-methylbut-2-enoyl]oxy]cyclohexyl] (Z)-2-methylbut-2-enoate
|
468.50
|
2.2
|
2
|
10
|
145.66
|
11
|
|
|
[(1S,2R,3S,4R,5R,6S)-2,5-dihydroxy-4,6-bis[[(Z)-2-methylbut-2-enoyl]oxy]-3-(2-methylpropoxy)cyclohexyl] (Z)-2-methylbut-2-enoate
|
482.60
|
3.5
|
2
|
9
|
128.59
|
12
|
|
|
[(1S,2R,3R,4S,5R,6S)-2,3,6-trihydroxy-4,5-bis[[(Z)-2-methylbut-2-enoyl]oxy]cyclohexyl] (Z)-2-methylbut-2-enoate
|
426.50
|
1.6
|
3
|
9
|
139.59
|
9
|
|
|
[(1R,2S,3R,4R,5R,6S)-3-acetyloxy-2,6-dihydroxy-4,5-bis[[(Z)-2-methylbut-2-enoyl]oxy]cyclohexyl] (Z)-2-methylbut-2-enoate
|
468.50
|
2.2
|
2
|
10
|
145.66
|
11
|
|
|
[(1S,2S,3R,4S,5R,6S)-2,3-diacetyloxy-6-hydroxy-4,5-bis[[(Z)-2-methylbut-2-enoyl]oxy]cyclohexyl] (Z)-2-methylbut-2-enoate
|
510.50
|
2.8
|
1
|
11
|
151.73
|
13
|
|
|
[(1S,2R,3R,4S,5R,6S)-2,3,6-trihydroxy-4,5-bis[[(Z)-2-methylbut-2-enoyl]oxy]cyclohexyl] (E)-3-methylpent-2-enoate
|
440.50
|
2.3
|
3
|
9
|
139.59
|
10
|
|
|
4-Methoxybenzofuran-5-carboxamide
|
191.18
|
1.2
|
1
|
3
|
65.46
|
2
|
|
|
6-Methoxybenzofuran-5-carboxamide
|
191.18
|
1.2
|
1
|
3
|
65.46
|
2
|
|
|
4-Hydroxy-1-benzofuran-5-carboxamide
|
177.16
|
1.4
|
2
|
3
|
76.46
|
1
|
|
|
(2S,3S)-3,5,7-trihydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
|
302.28
|
2.2
|
3
|
6
|
96.22
|
2
|
|
|
(2R,3R,4S,5S,6R)-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-17-[(2E,5S)-5-hydroxy-6-methylhepta-2,6-dien-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
620.90
|
5.9
|
6
|
8
|
139.84
|
7
|
|
|
[(2R,3S,4S,5R,6R)-6-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate
|
680.90
|
4.3
|
6
|
10
|
166.14
|
9
|
|
|
(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-6,12-dihydroxy-4,4,8,10,14-pentamethyl-17-[(2E)-6-methylhepta-2,5-dien-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
620.90
|
5.6
|
6
|
8
|
139.84
|
6
|
|
|
Isoginsenoside Rh3
|
604.90
|
7
|
5
|
7
|
119.61
|
6
|
|
|
7-Methoxy obtusifolin
|
314.29
|
3
|
2
|
6
|
93.06
|
2
|
|
|
1-[3-[(2R,3S,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-1,6-dimethoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalen-2-yl]ethanone
|
556.50
|
-1.2
|
7
|
14
|
214.06
|
9
|
|
|
3beta,22beta-Dihydroxyolean-12-en-30-oic acid
|
472.70
|
6.1
|
3
|
4
|
77.76
|
1
|
|
|
(2S)-2-(4-{[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]oxy}-3-methoxyphenyl)-5-hydroxy-4-oxo-3,4-dihydro-2H-chromen-7-yl beta-D-glucopyranoside
|
596.50
|
-0.9
|
8
|
15
|
234.29
|
8
|
|
|
N-Acetyldeacetoxycephalosporin C
|
399.40
|
-1.1
|
4
|
8
|
178.41
|
8
|
|
|
(2S,11S)-17,17-dimethyl-4,12,18-trioxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),5(10),6,8,14(19),15,20-heptaen-7-ol
|
322.40
|
3.6
|
1
|
4
|
47.92
|
0
|
|
|
Dehydroaustin
|
498.50
|
1.6
|
0
|
9
|
114.43
|
2
|
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