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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(2R,3R,4S,5S,6R)-2-[[(1S,3R,6S,8R,10S,11S,12S,14S,15R,16R)-15-[(2R,5R)-5,6-dihydroxy-6-methylheptan-2-yl]-6,14-dihydroxy-7,7,12,16-tetramethyl-10-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
654.90
|
3
|
8
|
10
|
180.3
|
8
|
|
|
2-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-5-[(Z)-3-[2-(4-hydroxyphenyl)ethylamino]-2-[4-[(E)-3-[2-(4-hydroxyphenyl)ethylamino]-3-oxoprop-1-enyl]-2-methoxyphenoxy]-3-oxoprop-1-enyl]-7-methoxy-2,3-dihydro-1-benzofuran-3-carboxamide
|
936.00
|
7.9
|
7
|
12
|
214.37
|
20
|
|
|
(4S,5S)-4-[(3R,5R,9R,10R,13S,14S,17S)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-methoxyoxolan-2-one
|
430.60
|
5.8
|
1
|
4
|
55.76
|
2
|
|
|
(4S,5R)-4-[(3R,5R,9R,10R,13S,14S,17S)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-methoxyoxolan-2-one
|
430.60
|
5.8
|
1
|
4
|
55.76
|
2
|
|
|
3-Oxo-21|A-methoxy-24,25,26,27-tetranortirucall-7-ene-23(21)-lactone
|
428.60
|
5.5
|
0
|
4
|
52.6
|
2
|
|
|
(4S,5R)-5-ethoxy-4-[(5R,9R,10R,13S,14S,17S)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxolan-2-one
|
442.60
|
5.8
|
0
|
4
|
52.6
|
3
|
|
|
(4S,5S)-5-methoxy-4-[(5R,9R,10R,13S,14S,17S)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxolan-2-one
|
428.60
|
5.5
|
0
|
4
|
52.6
|
2
|
|
|
(2R,3S)-2-(3,4-dihydroxyphenyl)-6-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
|
578.50
|
2.4
|
10
|
12
|
220.76
|
3
|
|
|
3-[(2S,3S,4R,5S)-5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
|
464.40
|
0.4
|
8
|
12
|
210.51
|
5
|
|
|
13-Methyl-5,7,17,19-tetraoxa-13-azoniahexacyclo[12.10.0.02,10.04,8.015,23.016,20]tetracosa-1(24),2,4(8),9,11,13,15(23),16(20),21-nonaene
|
332.30
|
4.1
|
0
|
4
|
40.8
|
0
|
|
|
(1R,3aR,5bR,7aR,9S,11aR,11bR,13aS,13bR)-3a,5b,8,8,11a,13a-hexamethyl-1-propan-2-yl-1,2,3,4,6,7,7a,9,10,11,11b,12,13,13b-tetradecahydrocyclopenta[a]chrysen-9-ol
|
426.70
|
9.2
|
1
|
1
|
20.23
|
1
|
|
|
(1S,2S,6S,7S,9R,13R,14S,15R,17S)-11,14,15-trihydroxy-4-methoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-ene-3,16-dione
|
394.50
|
0.8
|
3
|
7
|
113.29
|
1
|
|
|
3-[4-[[(1S)-6,7-dimethoxy-8-[(6-methoxy-2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)oxy]-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]-4-hydroxybenzaldehyde
|
638.70
|
5.4
|
1
|
9
|
107
|
10
|
|
|
2-[[(1R,4R,5S,23R,25R,26R,32R)-10,11,12,15,16,17,32,35,36,40,40-undecahydroxy-2,7,20,28,31-pentaoxo-3,6,21,24,27,33-hexaoxaoctacyclo[30.7.1.01,29.04,23.05,26.08,13.014,19.034,39]tetraconta-8,10,12,14,16,18,29,34(39),35,37-decaen-25-yl]oxymethyl]prop-2-enenitrile
|
865.60
|
-1.3
|
11
|
24
|
396.28
|
3
|
|
|
2-[[(10S,11R,12R,13R,15R)-3,4,5,11,12,21,22,23-octahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-13-yl]oxymethyl]prop-2-enenitrile
|
547.40
|
-0.4
|
8
|
15
|
256.69
|
3
|
|
|
(1R,4R,5S,23R,25R,26R,32R)-10,11,12,15,16,17,32,35,36,40,40-undecahydroxy-25-(2-oxopropoxy)-3,6,21,24,27,33-hexaoxaoctacyclo[30.7.1.01,29.04,23.05,26.08,13.014,19.034,39]tetraconta-8,10,12,14,16,18,29,34(39),35,37-decaene-2,7,20,28,31-pentone
|
856.60
|
-1.7
|
11
|
24
|
389.56
|
3
|
|
|
potassium;[(Z)-[4-methylsulfonyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylbutylidene]amino] sulfate
|
477.60
|
|
4
|
13
|
245.14
|
9
|
|
|
Kokusaginine
|
259.26
|
2.6
|
0
|
5
|
53.72
|
3
|
|
|
(9R,12R,13S,14R,16S,17S,18R)-13-ethyl-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2(7),3,5-triene-6,14,18-triol
|
342.40
|
1.5
|
3
|
5
|
67.17
|
1
|
|
|
(9R,12R,13S,14R,16S,17S,18R)-13-ethyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol
|
312.40
|
1.7
|
3
|
4
|
55.73
|
1
|
|
|
(1S,18S,20R)-19-ethenyl-18-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15-pentaen-14-one
|
498.50
|
0.4
|
5
|
8
|
144.71
|
4
|
|
|
(13aR,14S)-3,7-dimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[10,9-f]indolizine-6,14-diol
|
365.40
|
3.3
|
2
|
5
|
62.16
|
2
|
|
|
[(1S,2R,3R,4S,5R,6S,8R,9S,10S,13S,16S,17R,18R)-11-ethyl-9,16,18-trihydroxy-13-(hydroxymethyl)-6,8-dimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] acetate
|
481.60
|
-1.1
|
4
|
9
|
128.92
|
6
|
|
|
[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aS)-2,2,6a,6b,9,9,12a-heptamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12-dodecahydropicene-4a-carboxylate
|
1087.20
|
-0.2
|
13
|
22
|
353.9
|
12
|
|
|
[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aS)-10-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12-dodecahydropicene-4a-carboxylate
|
1233.40
|
-1.3
|
15
|
26
|
412.82
|
14
|
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