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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
butyl 5-[(E)-2-[(2S,3R,4S)-3-ethenyl-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]ethenyl]pyridine-3-carboxylate
|
549.60
|
1.3
|
4
|
12
|
174.1
|
13
|
|
|
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-methoxy-4-prop-2-enylphenoxy)oxan-2-yl]methyl 2-[(3R,4aS,5R,6S)-5-ethenyl-1-oxo-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]acetate
|
724.70
|
-0.3
|
7
|
17
|
249.59
|
14
|
|
|
5-[(2E,5E)-7-hydroperoxy-3,7-dimethylocta-2,5-dienoxy]-7-hydroxychromen-2-one
|
346.40
|
3.3
|
2
|
6
|
89.13
|
7
|
|
|
(1S,2S,4aR,4bS,7S,10aR)-7-ethenyl-2-hydroxy-1,4a,7-trimethyl-3,4,4b,5,6,8,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
|
318.40
|
4.5
|
2
|
3
|
57.53
|
2
|
|
|
8-methoxy-5,5-dimethyl-9-[(E)-2-methylbut-2-enoyl]-14-phenyl-3,11-dioxatetracyclo[8.4.0.02,7.04,6]tetradeca-1(10),2(7),8,13-tetraen-12-one
|
416.50
|
4.8
|
0
|
5
|
65.74
|
4
|
|
|
4-[[(1R,19R,21S,22R,23R)-6,7,8,11,12,13,22-heptahydroxy-3,16-dioxo-21-(3,4,5-trihydroxybenzoyl)oxy-2,17,20-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-4,6,8,10,12,14-hexaen-23-yl]oxy]-4-oxo-3-[(3S)-5,6,7-trihydroxy-3-methoxycarbonyl-1-oxo-3,4-dihydroisochromen-4-yl]butanoic acid
|
986.70
|
0.4
|
14
|
28
|
467.32
|
11
|
|
|
[(1S,3R,4R,5R,7S,8S,9R,11S,12S,13R,16S)-5,11-diacetyloxy-16-hydroxy-13-(2-hydroxy-5-oxo-2H-furan-4-yl)-7-(2-methoxy-2-oxoethyl)-6,6,8,12-tetramethyl-17-methylidene-15-oxo-2,14-dioxatetracyclo[7.7.1.01,12.03,8]heptadecan-4-yl] 2-methylbutanoate
|
720.80
|
2.2
|
2
|
15
|
207.49
|
12
|
|
|
[(1S,3R,4R,5R,7S,8S,9R,11S,12S,13R,16S)-5,11-diacetyloxy-16-hydroxy-13-(2-hydroxy-5-oxo-2H-furan-4-yl)-7-(2-methoxy-2-oxoethyl)-6,6,8,12-tetramethyl-17-methylidene-15-oxo-2,14-dioxatetracyclo[7.7.1.01,12.03,8]heptadecan-4-yl] 2-methylpropanoate
|
706.70
|
1.8
|
2
|
15
|
207.49
|
11
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-2-yl]oxycarbonyl-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(1S,2R)-2-carboxy-1-(carboxymethoxy)-2-hydroxyethoxy]-3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
|
1199.30
|
0.9
|
13
|
28
|
456.86
|
19
|
|
|
3-[3,4-dihydroxy-2-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]phenyl]-1-(2,4-dihydroxyphenyl)propan-1-one
|
428.50
|
5.1
|
5
|
6
|
118.22
|
10
|
|
|
3-[3,4-dihydroxy-2-[(E)-7-methoxy-3,7-dimethyloct-2-enyl]phenyl]-1-(2,4-dihydroxyphenyl)propan-1-one
|
442.50
|
5.6
|
4
|
6
|
107.22
|
11
|
|
|
Yoshixol
|
136.19
|
2.3
|
0
|
1
|
17.07
|
0
|
|
|
3-[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-3-[(3S,4S,5S,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-14,16-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
|
698.80
|
-0.8
|
8
|
14
|
225.06
|
6
|
|
|
3-[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-3-[(3S,4S,5R,6S)-5-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14,16-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
|
875.00
|
-2.4
|
10
|
19
|
293.21
|
10
|
|
|
3-[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14,16-dihydroxy-3-[(3S,4S,5R,6S)-3-hydroxy-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
|
875.00
|
-2.4
|
10
|
19
|
293.21
|
10
|
|
|
Vinyldithiin
|
142.20
|
2.3
|
0
|
2
|
50.6
|
1
|
|
|
(4bS,8S,8aR)-8-(hydroxymethyl)-4b,8-dimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-1-ol
|
302.50
|
5.3
|
2
|
2
|
40.46
|
2
|
|
|
[(2S,4aR)-6,10-dihydroxy-7-(2-hydroxypropan-2-yl)-1,1,4a-trimethyl-9-oxo-3,4-dihydro-2H-phenanthren-2-yl] acetate
|
388.50
|
3.5
|
3
|
6
|
104.06
|
3
|
|
|
(1R,8S,10S)-5-(2-hydroxypropan-2-yl)-11,11-dimethyl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-triene-3,4-diol
|
332.40
|
3.8
|
3
|
4
|
69.92
|
1
|
|
|
(2S,4aS,10aR)-1,1,4a-trimethyl-6-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-2,7-diol
|
302.50
|
5.2
|
2
|
2
|
40.46
|
1
|
|
|
(12R)-16-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(19),2(6),8(20),13,15,17-hexaene-11-carboxamide
|
338.40
|
0
|
1
|
4
|
74.02
|
1
|
|
|
(12R)-18-hydroxy-16-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(19),2(6),8(20),13,15,17-hexaene-11-carboxamide
|
354.40
|
-0.7
|
2
|
5
|
94.25
|
1
|
|
|
(11E)-5,12-dimethoxy-2-oxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),11,15,18-heptaen-10-one
|
338.40
|
3.9
|
0
|
4
|
44.76
|
2
|
|
|
3,5-Dihydroxy-6-[(2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclopentyl)methyl]-2-(3-methylbutanoyl)-4-(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one
|
430.60
|
5.2
|
3
|
5
|
94.83
|
8
|
|
|
(8R,9S,10R,13S,14R)-14-hydroxy-10,13-dimethyl-1,2,8,9,11,12-hexahydrocyclopenta[a]phenanthrene-3,17-dione
|
298.40
|
1.7
|
1
|
3
|
54.37
|
0
|
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