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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(1S,4R,4aS,7R,8R,8aR)-8-[2-(furan-3-yl)ethyl]-1,7-dihydroxy-7,8-dimethyl-5-oxospiro[2,3,6,8a-tetrahydro-1H-naphthalene-4,2'-oxirane]-4a-yl]methyl acetate
|
406.50
|
0.7
|
2
|
7
|
109.5
|
6
|
|
|
(1S,4R)-4-[(E,3R)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-ol
|
210.31
|
1.7
|
2
|
2
|
40.46
|
2
|
|
|
3-[(1S,4R,6S,9S,10R,13R,14R)-6-[(2R,3S,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-9,13-dimethyl-17-oxo-14-tetracyclo[11.3.1.01,10.04,9]heptadecanyl]-2H-furan-5-one
|
532.70
|
2.6
|
2
|
8
|
111.52
|
4
|
|
|
[(7R,8R)-7-[(Z)-2-methylbut-2-enoyl]oxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl (2S)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate
|
397.50
|
0.8
|
2
|
7
|
116.12
|
9
|
|
|
(2S)-2,6-dihydroxy-2-[(4-hydroxyphenyl)methyl]-7-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1-benzofuran-3-one
|
434.40
|
-0.5
|
7
|
10
|
177.14
|
4
|
|
|
(2R)-2,6-dihydroxy-2-[(4-hydroxyphenyl)methyl]-7-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1-benzofuran-3-one
|
434.40
|
-0.5
|
7
|
10
|
177.14
|
4
|
|
|
5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl beta-L-glucopyranoside
|
432.40
|
-0.1
|
6
|
10
|
170.05
|
4
|
|
|
(1S,2Z,4R,6Z,10Z,13S)-2,6,10-trimethyl-13-prop-1-en-2-ylcyclotetradeca-2,6,10-triene-1,4-diol
|
304.50
|
3.5
|
2
|
2
|
40.46
|
1
|
|
|
(1R,3R,5S,6Z,8R,10Z,14S)-6,10,14-trimethyl-3-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-diene-5,8-diol
|
320.50
|
2.9
|
2
|
3
|
52.99
|
1
|
|
|
(1R,3R,4Z,6S,8S,10Z,13Z)-1,5,11-trimethyl-8-prop-1-en-2-ylcyclotetradeca-4,10,13-triene-1,3,6-triol
|
320.50
|
2.8
|
3
|
3
|
60.69
|
1
|
|
|
(1S,2Z,4R,7S,10Z,13S)-2,10-dimethyl-6-methylidene-13-prop-1-en-2-ylcyclotetradeca-2,10-diene-1,4,7-triol
|
320.50
|
2.5
|
3
|
3
|
60.69
|
1
|
|
|
Friedelinol
|
428.70
|
10.1
|
1
|
1
|
20.23
|
0
|
|
|
[(1S,2R,4S,6R,9Z,11S,12S)-4,9,12-trimethyl-15-propan-2-ylidene-11-(pyridine-3-carbonyloxy)-5-oxatricyclo[10.3.0.04,6]pentadec-9-en-2-yl] pyridine-3-carboxylate
|
530.70
|
5
|
0
|
7
|
90.91
|
6
|
|
|
8-((2S,3R)-3-Heptyloxiran-2-yl)octa-1-en-4,6-diyn-3-one
|
258.35
|
5
|
0
|
2
|
29.6
|
9
|
|
|
(3S)-8-[(2R,3S)-3-heptyloxiran-2-yl]oct-1-en-4,6-diyn-3-ol
|
260.40
|
4.5
|
1
|
2
|
32.76
|
9
|
|
|
[(3S)-8-[(2R,3S)-3-heptyloxiran-2-yl]oct-1-en-4,6-diyn-3-yl] acetate
|
302.40
|
5.1
|
0
|
3
|
38.83
|
11
|
|
|
(1S,3S,6R)-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,4S,6S)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol
|
600.90
|
9.8
|
2
|
4
|
65.52
|
10
|
|
|
[(3S,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] (Z)-hexadec-9-enoate
|
663.10
|
16.1
|
0
|
2
|
26.3
|
15
|
|
|
[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bS)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl] (Z)-hexadec-9-enoate
|
693.10
|
13.5
|
1
|
4
|
63.6
|
16
|
|
|
[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-(hydroxymethyl)-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] (Z)-hexadec-9-enoate
|
679.10
|
14.5
|
1
|
3
|
46.53
|
16
|
|
|
[(3S,4aR,6aR,6bS,8aR,12aR,14aR,14bS)-4,4,6a,6b,8a,11,11,14b-octamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl] (Z)-hexadec-9-enoate
|
677.10
|
15.1
|
0
|
3
|
43.37
|
15
|
|
|
[(1S,4S,5R,8R,10S,13S,14R,17S,18R)-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl] (Z)-hexadec-9-enoate
|
677.10
|
14.4
|
0
|
3
|
35.53
|
15
|
|
|
[(1S,2S,4S,5R,6S,9S,11R,14R,15S,18S,23R)-6,10,10,14,15,21,21-heptamethyl-3,24-dioxaheptacyclo[16.5.2.01,15.02,4.05,14.06,11.018,23]pentacosan-9-yl] (Z)-hexadec-9-enoate
|
693.10
|
13.7
|
0
|
4
|
48.06
|
15
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aR,9S,14aR,14bS)-9-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,13,14a-dodecahydro-1H-picen-3-yl]oxy]-5-[(2S,3R,4S,5R)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
|
911.10
|
2
|
9
|
17
|
271.59
|
7
|
|
|
Anastatin A
|
378.30
|
3.8
|
4
|
7
|
120.36
|
1
|
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