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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(2S,3S,4R)-2-[(1S,3R,6S,8R,11S,12S,15R,16R)-6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-6-methylhept-5-ene-3,4-diol
|
458.70
|
7.5
|
3
|
3
|
60.69
|
4
|
|
|
1-[3-[(3-Acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-2,4,6-trihydroxy-5-(3-methylbut-2-enyl)phenyl]pentan-1-one
|
486.60
|
6.2
|
5
|
8
|
144.52
|
10
|
|
|
(2R)-4-[12-[(2S,3R)-3-[2-[(2S,3R)-3-dodecyloxiran-2-yl]ethyl]oxiran-2-yl]dodecyl]-2-methyl-2H-furan-5-one
|
546.90
|
12.8
|
0
|
4
|
51.36
|
27
|
|
|
Dieporeticanin
|
574.90
|
13.9
|
0
|
4
|
51.36
|
29
|
|
|
4-[16-[3-[2-(3-decyloxiran-2-yl)ethyl]oxiran-2-yl]hexadecyl]-2-methyl-2H-furan-5-one
|
574.90
|
13.9
|
0
|
4
|
51.36
|
29
|
|
|
(1S,4aS,6S,7R,8aS)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalene-1,6-diol
|
256.38
|
2.3
|
3
|
3
|
60.69
|
1
|
|
|
(1R,4S,4aR,5R,6S,8aS)-4,8a-dimethyl-6-propan-2-yl-1,2,3,4a,5,6,7,8-octahydronaphthalene-1,4,5-triol
|
256.38
|
2
|
3
|
3
|
60.69
|
1
|
|
|
(1S,2S,6S,9R,10R,12S,14R)-9-hydroxy-9,14-dimethyl-5-methylidene-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradecan-4-one
|
264.32
|
1.3
|
1
|
4
|
59.06
|
0
|
|
|
CID 102064899
|
502.60
|
0.5
|
4
|
8
|
136.82
|
3
|
|
|
(2S,3R,5R,9R,10R,13R,14S,17S)-2,14-dihydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
|
612.70
|
-1.1
|
8
|
11
|
197.37
|
7
|
|
|
(2S,3R,5R,9R,10R,13R,14S,17S)-17-[(2R,3R)-2,3-dihydroxy-6-methylheptan-2-yl]-2,14-dihydroxy-10,13-dimethyl-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
|
596.70
|
0.3
|
7
|
10
|
177.14
|
7
|
|
|
[(2S,3R,4R,5S,6S)-2-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[5-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl] acetate
|
796.70
|
-1.5
|
9
|
20
|
303.19
|
12
|
|
|
7-[(2S,3R,4S,5S,6R)-3-[(2S,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-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)chromen-4-one
|
754.70
|
-1.5
|
10
|
19
|
297.12
|
10
|
|
|
8-[(2S,3R,4S,5S,6R)-3-[(2S,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-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one
|
754.70
|
-2.2
|
11
|
19
|
308.12
|
9
|
|
|
2-[(2R,4aS,7S,8aR)-7,8a-dihydroxy-4a-methyl-8-methylidene-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]prop-2-enoic acid
|
266.33
|
1.2
|
3
|
4
|
77.76
|
2
|
|
|
Caudatoside
|
428.50
|
-1.4
|
6
|
9
|
156.91
|
4
|
|
|
(2R,7R,7aS)-7-hydroxy-2,5,7-trimethyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[2,3,3a,7a-tetrahydroindene-6,1'-cyclopropane]-1-one
|
398.40
|
-1.1
|
5
|
8
|
136.68
|
3
|
|
|
[(1'S,2R,2'S,3'R,5'S,7'S,8'S,9'R,10'R,13'S)-2',5',9',13'-tetraacetyloxy-1',10'-dihydroxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.03,8]pentadec-11-ene]-7'-yl] acetate
|
610.60
|
0
|
2
|
13
|
184.49
|
10
|
|
|
(1S,10S)-21,24-dimethyl-3,12,21,24-tetrazahexacyclo[9.7.3.32,10.01,10.04,9.013,18]tetracosa-2,4,6,8,11,13,15,17-octaene
|
342.40
|
1.8
|
0
|
2
|
31.2
|
0
|
|
|
(1S,10S)-24-methyl-3,12,21,24-tetrazahexacyclo[9.7.3.32,10.01,10.04,9.013,18]tetracosa-2,4,6,8,11(21),13,15,17-octaene
|
328.40
|
1.5
|
1
|
2
|
39.99
|
0
|
|
|
[(9R,10R,11S)-10-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-11-yl] (E)-2-methylbut-2-enoate
|
514.60
|
4.6
|
1
|
9
|
101.91
|
7
|
|
|
(1S,12S,14S)-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9-trien-14-ol
|
275.34
|
1.5
|
2
|
4
|
50.72
|
1
|
|
|
(E)-1-[(1S,2R,4aR,8aS)-1,2,4a-trihydroxy-2,5,5,8a-tetramethyl-4,6,7,8-tetrahydro-3H-naphthalen-1-yl]-3-methylpent-3-en-2-one
|
338.50
|
3
|
3
|
4
|
77.76
|
3
|
|
|
(2S,3R,4S,5R)-2-[[(3S,3aS,4S,5aR,5bR,7S,7aR,9S,11aR,11bR,13aR,13bR)-7-[(2S,3R,4S,5S)-3,5-dihydroxy-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-(2-hydroxypropan-2-yl)-5a,5b,8,8,11a,13b-hexamethyl-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-9-yl]oxy]oxane-3,4,5-triol
|
1005.20
|
-0.4
|
12
|
20
|
316.6
|
9
|
|
|
(1R,3aS,5aR,5bR,7aR,9R,10R,11aR,11bR,13aR,13bR)-10-hydroxy-9-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
|
648.90
|
9.5
|
3
|
7
|
113.29
|
7
|
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