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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,6S)-3,4,5-trihydroxy-6-[[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (4aR,6aR,6aS,6bR,8aR,9R,10S,12aR,14bR)-10-[(2S,3S,4S,5R,6S)-5-[(2R,3S,4R,5S,6S)-4-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
1399.50
|
-4
|
19
|
32
|
512.2
|
18
|
|
|
5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-[[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy]oxan-2-yl]oxychromen-4-one
|
624.50
|
-1.3
|
9
|
16
|
258.43
|
8
|
|
|
(1R,2R,3R,4aR,4bR,8R,10aR,10bR,12aR)-8-[3-[(1R,2R,4R,5R,7S,10S,11R,14R,15S,18R,22S,23S)-4,22-dihydroxy-2,10,14,15,21,21-hexamethyl-18-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-6,8-dioxahexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacos-24-en-7-yl]-3-methylbutyl]-2,3-dihydroxy-1,4a,10a,10b-tetramethyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-3,4,4b,5,7,9,10,11,12,12a-decahydro-2H-chrysene-1-carboxylic acid
|
1329.60
|
6.6
|
13
|
22
|
369.58
|
13
|
|
|
[(3S,4R,5R,8R,9S,10R,13S,14S,16S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-4-hydroxy-10,13-dimethyl-3-(3-methylbut-2-enoylamino)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-16-yl] acetate
|
502.70
|
5.6
|
2
|
5
|
78.87
|
6
|
|
|
5,7-dihydroxy-2-[(1R,6S)-1-hydroxy-6-methoxy-4-oxocyclohex-2-en-1-yl]chromen-4-one
|
318.28
|
0.3
|
3
|
7
|
117.2
|
2
|
|
|
9b-(2-Carboxy-1-hydroxyethyl)-7-[furan-3-yl(hydroxy)methyl]-3,3,5a,7-tetramethyl-5-oxospiro[1,3a,4,8,9,9a-hexahydrobenzo[e][2]benzofuran-6,3'-oxirane]-2'-carboxylic acid
|
506.50
|
0.2
|
4
|
10
|
167.03
|
6
|
|
|
(1S,9R,12R,16R)-6-ethyl-13,14,15-trihydroxy-1,12-dimethyl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,6-diene-4,11-dione
|
350.40
|
-0.4
|
3
|
7
|
117.2
|
1
|
|
|
(1S,9R,12S,16R)-15-hydroxy-6-(1-hydroxyethyl)-1,12-dimethyl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,6-diene-4,11-dione
|
334.40
|
0.2
|
2
|
6
|
96.97
|
1
|
|
|
(1S,9R,12R,16R)-6-ethyl-13,15-dihydroxy-1,12-dimethyl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,6-diene-4,11-dione
|
334.40
|
0.5
|
2
|
6
|
96.97
|
1
|
|
|
(1S,9R,12R,16S)-15-chloro-13,14-dihydroxy-6-(1-hydroxyethyl)-1,12-dimethyl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,6-diene-4,11-dione
|
384.80
|
-0.4
|
3
|
7
|
117.2
|
1
|
|
|
(4S,5R,6R)-4,5,6-trihydroxy-6-nonadec-10-enylcyclohex-2-en-1-one
|
408.60
|
7.1
|
3
|
4
|
77.76
|
17
|
|
|
[(1S,2R,3R,4S,5R,6S)-2,3,6-trihydroxy-4,5-bis(2-methylbut-2-enoyloxy)cyclohexyl] (E)-3-methylpent-2-enoate
|
440.50
|
2.3
|
3
|
9
|
139.59
|
10
|
|
|
[(1S,2R,3S,4R,5R,6S)-2,5-dihydroxy-4-(2-methylbut-2-enoyloxy)-6-[(Z)-2-methylbut-2-enoyl]oxy-3-(2-methylpropoxy)cyclohexyl] 2-methylbut-2-enoate
|
482.60
|
3.5
|
2
|
9
|
128.59
|
12
|
|
|
[(1S,2R,3R,4S,5S,6R)-3-acetyloxy-2,6-dihydroxy-5-[(Z)-2-methylbut-2-enoyl]oxy-4-(2-methylbut-2-enoyloxy)cyclohexyl] 2-methylbut-2-enoate
|
468.50
|
2.2
|
2
|
10
|
145.66
|
11
|
|
|
[(1R,2S,3R,4R,5R,6S)-3-acetyloxy-2,6-dihydroxy-5-[(Z)-2-methylbut-2-enoyl]oxy-4-(2-methylbut-2-enoyloxy)cyclohexyl] 2-methylbut-2-enoate
|
468.50
|
2.2
|
2
|
10
|
145.66
|
11
|
|
|
[(1S,2R,3S,4R,5R,6S)-3-acetyloxy-2,5-dihydroxy-4-(2-methylbut-2-enoyloxy)-6-[(Z)-2-methylbut-2-enoyl]oxycyclohexyl] 2-methylbut-2-enoate
|
468.50
|
2.2
|
2
|
10
|
145.66
|
11
|
|
|
(10R,16R,17S)-15-ethenyl-19-oxa-3,13-diazahexacyclo[14.3.1.02,10.04,9.010,15.012,17]icosa-2,4,6,8,13-pentaene
|
290.40
|
1.5
|
0
|
3
|
33.95
|
1
|
|
|
8-(3,7-Dimethylocta-2,6-dienyl)-5,7-dihydroxy-3,6-bis(3-methylbut-2-enyl)-2-(2,4,5-trihydroxyphenyl)chromen-4-one
|
574.70
|
9.6
|
5
|
7
|
131.36
|
10
|
|
|
[(1S,2R,4R,6R,7R,11R,12R,14R,15R,16R,18S)-7-(furan-3-yl)-18-(2-methoxy-2-oxoethyl)-1,6,17,17-tetramethyl-9,19-dioxo-3,8,13-trioxahexacyclo[13.3.1.02,4.02,12.06,11.012,14]nonadecan-16-yl] (2R)-2-methylbutanoate
|
584.70
|
2.9
|
0
|
10
|
134.17
|
8
|
|
|
(1S,2E,5S,6E,9R,14R,15S)-5,9-dihydroxy-15-(hydroxymethyl)-3,7,11,15-tetramethylbicyclo[12.1.0]pentadeca-2,6,10-trien-4-one
|
334.40
|
1.9
|
3
|
4
|
77.76
|
1
|
|
|
(1S,2E,5S,14R)-5-hydroxy-3,7,11,15,15-pentamethylbicyclo[12.1.0]pentadeca-2,6,10-triene-4,9-dione
|
316.40
|
3.1
|
1
|
3
|
54.37
|
0
|
|
|
(1S,2R,5R,7S,8S,11S,12R,17R)-11,12-dihydroxy-2,7,14-trimethyl-16-oxapentacyclo[9.7.0.02,8.05,7.013,17]octadec-13-en-15-one
|
332.40
|
2.4
|
2
|
4
|
66.76
|
0
|
|
|
2-[(2S,5S)-5-hydroxy-2-prop-1-en-2-ylhexyl]-3-methylcyclopent-2-en-1-one
|
236.35
|
2.7
|
1
|
2
|
37.3
|
6
|
|
|
(2S,3R,4S,5R,6S)-2-[[(1R,4R,5R,6R,7S,10R)-4,10-dimethyl-7-propan-2-yl-4-tricyclo[4.4.0.01,5]decanyl]oxy]-6-methyloxane-3,4,5-triol
|
368.50
|
2.8
|
3
|
5
|
79.15
|
3
|
|
|
(1S,2R,4aS,6aS,6aS,6bR,8aR,9S,10S,12aR,14bS)-10-hydroxy-9-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxymethyl]-1,2,6b,9,12a-pentamethyl-1,2,3,4,5,6,6a,6a,7,8,8a,10,11,12,13,14b-hexadecahydropicene-4a-carboxylic acid
|
634.80
|
7.9
|
3
|
7
|
113.29
|
7
|
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