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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
CID 101215407
|
1413.50
|
-4.8
|
18
|
33
|
510.43
|
17
|
|
|
CID 101215408
|
1091.20
|
-3
|
13
|
24
|
372.36
|
13
|
|
|
(5S,8aS,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
|
414.40
|
2
|
1
|
8
|
92.68
|
4
|
|
|
6-methoxy-2-methyl-1-[[4-[(14,15,16-trimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaen-6-yl)oxy]phenyl]methyl]-3,4-dihydro-1H-isoquinolin-7-ol
|
620.70
|
7.2
|
1
|
8
|
72.86
|
8
|
|
|
methyl (E)-2-[(2S,3E)-3-ethylidene-2,4-dihydro-1H-indolo[2,3-a]quinolizin-2-yl]-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyprop-2-enoate
|
510.50
|
0.6
|
4
|
9
|
143.5
|
6
|
|
|
(3R,4S,5S)-3,4-bis(1,3-benzodioxol-5-ylmethyl)-5-methoxyoxolan-2-one
|
384.40
|
3.7
|
0
|
7
|
72.45
|
5
|
|
|
(1S,8R,9S,16S)-8,16-bis(4-hydroxyphenyl)-9-[(1S,8S,9R,16S)-4,6,12-trihydroxy-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaen-9-yl]-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaene-4,6,12-triol
|
906.90
|
9.1
|
10
|
12
|
220.76
|
5
|
|
|
(2S,3S,4S,5R,6R)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-4-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]methoxy]oxan-2-yl]oxy-6-[[(1R,2R,5S,6R,9R,10S,11S,14R,15R,19S,21R)-10-(hydroxymethyl)-2,5,6,10,14,21-hexamethyl-22-oxo-23-oxahexacyclo[19.2.1.02,19.05,18.06,15.09,14]tetracos-17-en-11-yl]oxy]oxane-2-carboxylic acid
|
1101.20
|
0
|
12
|
23
|
359.97
|
12
|
|
|
(2S,3S,4S,5R,6R)-5-[(2R,3R,4S,5S,6S)-6-carboxy-5-hydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-4-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]methoxy]oxan-2-yl]oxy-3,4-dihydroxy-6-[[(1R,2R,5S,6R,9R,10S,11S,14R,15R,19S,21R)-10-(hydroxymethyl)-2,5,6,10,14,21-hexamethyl-22-oxo-23-oxahexacyclo[19.2.1.02,19.05,18.06,15.09,14]tetracos-17-en-11-yl]oxy]oxane-2-carboxylic acid
|
1115.20
|
0.3
|
12
|
24
|
377.04
|
12
|
|
|
(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R)-2,5,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
|
480.60
|
0.5
|
6
|
7
|
138.45
|
5
|
|
|
[(1S,2R,4R,6S,7Z,10R)-6-acetyloxy-12-(acetyloxymethyl)-4,8-dimethyl-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradeca-7,11-dien-10-yl] 2-methylprop-2-enoate
|
448.50
|
1
|
0
|
9
|
117.73
|
8
|
|
|
(4aS,7S)-7-(1,2-dihydroxyethyl)-1,1,4a,7-tetramethyl-2,3,4,5,6,8,10,10a-octahydrophenanthren-9-one
|
320.50
|
3.3
|
2
|
3
|
57.53
|
2
|
|
|
(4aS,7S)-7-(1,2-dihydroxyethyl)-7-(hydroxymethyl)-1,1,4a-trimethyl-2,3,4,5,6,8,10,10a-octahydrophenanthren-9-one
|
336.50
|
2.1
|
3
|
4
|
77.76
|
3
|
|
|
(4bR,8aR)-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a-tetrahydrophenanthrene-1,3,4-triol
|
316.40
|
5.8
|
3
|
3
|
60.69
|
1
|
|
|
(1S,2S,5S,6S,7R,8S,11R)-7-hydroxy-6-methyl-11-propan-2-yl-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-9-oxatricyclo[6.2.1.02,6]undecan-10-one
|
430.50
|
0.2
|
5
|
9
|
145.91
|
5
|
|
|
(1S,2S,5S,6S,7R,8R,11S)-7,11-dihydroxy-6-methyl-11-propan-2-yl-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-9-oxatricyclo[6.2.1.02,6]undecan-10-one
|
446.50
|
-0.8
|
6
|
10
|
166.14
|
5
|
|
|
(3S,3aS,6S,6aR,9aR,9bS)-6-(hydroxymethyl)-3-methyl-9-methylidene-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,6a,7,8,9a,9b-hexahydro-3H-azuleno[4,5-b]furan-2-one
|
426.50
|
-1
|
5
|
9
|
145.91
|
4
|
|
|
(3S,3aS,5R,6aR,8S,9aR,9bS)-5-hydroxy-3-methyl-6,9-dimethylidene-8-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,5,6a,7,8,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2-one
|
426.50
|
-1.3
|
5
|
9
|
145.91
|
3
|
|
|
(3aS,5R,6aR,9aR,9bS)-5-hydroxy-3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one
|
246.30
|
1.5
|
1
|
3
|
46.53
|
0
|
|
|
5-[(2S,3S)-2-(3,5-dihydroxyphenyl)-4-hydroxy-6-[(2S,3S)-4-hydroxy-2-(4-hydroxyphenyl)-6-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol
|
696.70
|
7.3
|
8
|
10
|
180.3
|
6
|
|
|
(1E,19Z,21E)-2,10,18-tris(4-hydroxyphenyl)-6,14,22-trimethoxytetracyclo[17.5.1.13,7.111,15]heptacosa-1(25),3,5,7(27),11,13,15(26),19,21-nonaene-4,12,20-triol
|
768.90
|
9.2
|
6
|
9
|
149.07
|
6
|
|
|
[10-(2,3,4,7,8,9,19-Heptahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaen-14-yl)-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-9,13,25,32-tetraoxaheptacyclo[25.8.0.02,7.015,20.021,30.024,29.028,33]pentatriaconta-1(35),2,4,6,15,17,19,21,23,26,28,30,33-tridecaen-11-yl] 3,4,5-trihydroxybenzoate
|
1142.80
|
1.5
|
16
|
28
|
481.46
|
4
|
|
|
(1S,2R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-5-en-8-one
|
246.35
|
1.7
|
0
|
2
|
23.55
|
0
|
|
|
(2R,3R,4S,5R)-4-methoxyoxane-2,3,5-triol
|
164.16
|
-2
|
3
|
5
|
79.15
|
1
|
|
|
5,7-Dihydroxy-2-(6-phenylhexyl)chromen-4-one
|
338.40
|
4.7
|
2
|
4
|
70.67
|
7
|
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