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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
3-[[(3S,7S,8S,9R,10R,13R,14S,17R)-17-[(E,2R)-6-ethoxy-6-methylhept-4-en-2-yl]-9-formyl-7-hydroxy-4,4,13,14-tetramethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3-oxopropanoic acid
|
586.80
|
5.9
|
2
|
7
|
110.13
|
11
|
|
|
methyl (1S,2R,4aS,6aR,6aS,6bR,8aR,9S,10S,11R,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate
|
502.70
|
6
|
3
|
5
|
86.99
|
3
|
|
|
methyl (2S)-2-[(1S,6aS,8R,10S,10aS,10bS,11S,11aS)-8,11-diacetyloxy-1-(furan-3-yl)-5,9,9,10a,11a-pentamethyl-3-oxo-6a,7,8,10,10b,11-hexahydro-1H-[1]benzofuro[2,3-g]isochromen-10-yl]-2-hydroxyacetate
|
586.60
|
2.6
|
1
|
11
|
147.8
|
8
|
|
|
(E)-4-ethoxy-3-[(3S,4R)-3-ethoxycarbonyl-5,6,7-trihydroxy-1-oxo-3,4-dihydroisochromen-4-yl]-4-oxobut-2-enoic acid
|
410.30
|
0.9
|
4
|
11
|
176.89
|
8
|
|
|
[(1R,3R,4S,5R,7S,8R,9S,12S,13S)-13-(furan-3-yl)-5,9-dihydroxy-7-(2-methoxy-2-oxoethyl)-6,6,8,12-tetramethyl-17-methylidene-15-oxo-2-oxatetracyclo[7.7.1.01,12.03,8]heptadecan-4-yl] 2-methylpropanoate
|
572.70
|
2.5
|
2
|
9
|
132.5
|
7
|
|
|
Chikusetsusaponin IV
|
927.10
|
2.8
|
10
|
18
|
291.82
|
10
|
|
|
(3R,4S)-3,4-dihydroxy-2,6,6-trimethylcyclohexene-1-carboxylic acid
|
200.23
|
0
|
3
|
4
|
77.76
|
1
|
|
|
(3R)-5,7-dihydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
|
408.50
|
6.4
|
3
|
5
|
86.99
|
5
|
|
|
[(2R,4R,4aS,4bR,8aR,10R,10aR)-10-acetyloxy-2-ethenyl-6,10a-dihydroxy-2,4b,8,8-tetramethyl-1,7-dioxo-3,4,4a,8a,9,10-hexahydrophenanthren-4-yl] benzoate
|
510.60
|
4.2
|
2
|
8
|
127.2
|
6
|
|
|
(1R)-1-[[(2S,3R,5S,11bS)-3-ethyl-5-hydroxy-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-5-ium-2-yl]methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol;2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid
|
719.70
|
|
5
|
15
|
164.17
|
5
|
|
|
(Z,3S,8S)-octadec-9-en-4,6-diyne-1,3,8,18-tetrol
|
308.40
|
2.2
|
4
|
4
|
80.92
|
12
|
|
|
(3S,6S,7R,10S,14R)-6,14-dihydroxy-3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradec-1(11)-ene-5,12-dione
|
334.40
|
1.7
|
2
|
4
|
74.6
|
1
|
|
|
[(1R,2R,3aR,5S,6E,10R,11S,13R,13aS)-1,3a,10-triacetyloxy-11-benzoyloxy-2-hydroxy-2,5,8,8-tetramethyl-12-methylidene-4,9-dioxo-3,5,10,11,13,13a-hexahydro-1H-cyclopenta[12]annulen-13-yl] benzoate
|
732.80
|
4.7
|
1
|
13
|
185.87
|
12
|
|
|
[(9S,10E,16R)-9,16-dihydroxyoctadeca-10,17-dien-12,14-diynyl] acetate
|
332.40
|
3.8
|
2
|
4
|
66.76
|
13
|
|
|
[(2S,3R,4S,5R,6R)-2-[2,4-dihydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]phenoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] acetate
|
448.40
|
1.5
|
6
|
10
|
166.14
|
7
|
|
|
(1R,4aS,4bS,5S,8S,8aR,10aR)-5-(2-hydroxypropan-2-yl)-8,10a-dimethyl-4-methylidene-1,2,3,4a,4b,5,6,7,8,8a,9,10-dodecahydrophenanthren-1-ol
|
306.50
|
4
|
2
|
2
|
40.46
|
1
|
|
|
(2S,3R,4R,5R,6S)-2-[2,4-dihydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]phenoxy]-6-methyloxane-3,4,5-triol
|
390.40
|
1.5
|
6
|
8
|
139.84
|
4
|
|
|
[(2S,3R,4S,5S,6R)-2-[2,4-dihydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]phenoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate
|
558.50
|
2.1
|
9
|
13
|
226.83
|
8
|
|
|
3-[[(1R,4S,5S,8R,9R,12S,13S,16S,19S)-8-[(E,2R)-6-hydroxy-6-methylhept-4-en-2-yl]-19-methoxy-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-yl]oxy]-3-oxopropanoic acid
|
572.80
|
6.5
|
2
|
7
|
102.29
|
9
|
|
|
3-[[(3S,7S,8S,9R,10R,13R,14S,17R)-9-formyl-7-methoxy-17-[(E,2R)-6-methoxy-6-methylhept-4-en-2-yl]-4,4,13,14-tetramethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3-oxopropanoic acid
|
586.80
|
6.1
|
1
|
7
|
99.13
|
11
|
|
|
N-[(10S,12R,16S)-3,5,14-trimethoxy-13-oxo-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10-tetracyclo[9.5.0.02,7.012,16]hexadeca-1(11),2,4,6,14-pentaenyl]acetamide
|
547.50
|
-0.8
|
5
|
11
|
173.24
|
7
|
|
|
(2S)-2-[1-[(1R,2S,5R,6R,9R,10R,13R,15R,18R)-15,18-dihydroxy-9,10,14,14-tetramethyl-16-oxapentacyclo[13.2.2.01,13.02,10.05,9]nonadecan-6-yl]ethenyl]-5-methyl-2,3-dihydropyran-6-one
|
484.70
|
6.4
|
2
|
5
|
75.99
|
2
|
|
|
1-O-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methyl] 2-O-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-4-oxo-2-[4-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-7-yl]oxyoxan-2-yl]methyl] (1R,2R,3R,4R)-3,4-bis(4-hydroxyphenyl)cyclobutane-1,2-dicarboxylate
|
1319.20
|
2.2
|
15
|
29
|
471.85
|
19
|
|
|
[(1S,2S,3aR,5R,6E,9S,10S,11S,13R,13aR)-3a,10,13-triacetyloxy-11-benzoyloxy-1-hydroxy-2,5,8,8-tetramethyl-12-methylidene-4-oxo-2,3,5,9,10,11,13,13a-octahydro-1H-cyclopenta[12]annulen-9-yl] pyridine-3-carboxylate
|
719.80
|
4.7
|
1
|
13
|
181.69
|
12
|
|
|
Ethyl 2-(11,12-dihydroxy-3,8-dioxo-2,7-dioxatricyclo[7.3.1.05,13]trideca-1(13),4,9,11-tetraen-4-yl)acetate
|
320.25
|
0.3
|
2
|
8
|
123.27
|
4
|
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