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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Chlorothalonil
|
265.90
|
2.9
|
0
|
2
|
47.58
|
0
|
|
|
1-Hydroxy-3,5,6,7-tetramethoxy-9H-xanthen-9-one
|
332.30
|
3
|
1
|
7
|
87.36
|
4
|
|
|
(2R,4aR,4bS,7R,10aS)-2-[(2R,3S,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-7-ethenyl-1,1,4a,7-tetramethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-9-one
|
610.70
|
1.9
|
6
|
11
|
175.37
|
6
|
|
|
[(2S,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
|
640.60
|
-1
|
10
|
16
|
265.52
|
12
|
|
|
Scabraside
|
844.80
|
2.2
|
5
|
20
|
278.8
|
17
|
|
|
Phenol, 4-(2-propenyl)-2-(4-(2-propenyl)phenoxy)-
|
266.30
|
5.2
|
1
|
2
|
29.46
|
6
|
|
|
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(1S,4S,5S,8R,9R,12S,13S,16S)-8-[(E,2R)-6-hydroxy-6-methylhept-4-en-2-yl]-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-yl]oxy]oxane-3,4,5-triol
|
618.80
|
4.6
|
5
|
8
|
128.84
|
7
|
|
|
(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[[(1S,4S,5S,8R,9R,12S,13S,16S)-8-[(E,2R)-6-hydroxy-6-methylhept-4-en-2-yl]-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-yl]oxy]oxane-3,4,5-triol
|
618.80
|
4.6
|
5
|
8
|
128.84
|
7
|
|
|
methyl (1S,4aS,7S,7aR)-7-methyl-1-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
|
374.40
|
0
|
4
|
9
|
134.91
|
5
|
|
|
(3S,5S,6S,8R,9S,10R,13S,14S)-3,6-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
|
306.40
|
2.3
|
2
|
3
|
57.53
|
0
|
|
|
Colosolic acid
|
472.70
|
6.4
|
3
|
4
|
77.76
|
1
|
|
|
(1R,4R,5R,8R,10S,13S,14R,17R,18R,19S,20S,22S)-22-methoxy-4,5,9,9,13,19,20-heptamethyl-21-oxahexacyclo[18.2.2.01,18.04,17.05,14.08,13]tetracosan-10-ol
|
472.70
|
7.9
|
1
|
3
|
38.69
|
1
|
|
|
8,14-Methano-2H,14H-1-benzopyrano(7,8-d)(1,3)benzodioxocin-3,5,11,13-tetrol, 3,4-dihydro-2,8-bis(4-hydroxyphenyl)-, (2R,3R,8S,14R)-
|
528.50
|
4.1
|
6
|
9
|
149.07
|
2
|
|
|
Robustadial A
|
386.50
|
5.5
|
2
|
5
|
83.83
|
4
|
|
|
[17-(5-ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
|
454.70
|
9.1
|
0
|
2
|
26.3
|
7
|
|
|
Robustadial B
|
386.50
|
5.5
|
2
|
5
|
83.83
|
4
|
|
|
(2S)-2-amino-2-[(1S,2S)-2-hydroxycyclopent-3-en-1-yl]acetic acid
|
157.17
|
-2.5
|
3
|
4
|
83.55
|
2
|
|
|
methyl (6aS)-1,2-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-carboxylate
|
339.40
|
3.3
|
0
|
4
|
48
|
3
|
|
|
methyl (1S,4S,7S,8R,9S,11S)-4,9-dihydroxy-2,10-dioxatricyclo[5.3.1.04,11]undec-5-ene-8-carboxylate
|
242.22
|
-0.6
|
2
|
6
|
85.22
|
2
|
|
|
[(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] hexadecanoate
|
681.10
|
15.3
|
1
|
3
|
46.53
|
17
|
|
|
Erythrodiol 3-O-palmitate
|
681.10
|
15.5
|
1
|
3
|
46.53
|
17
|
|
|
Bacopaside III
|
847.00
|
2.1
|
7
|
16
|
248.74
|
8
|
|
|
(3R,3aS,6R,6aS,10aR)-3,6,9-trimethyl-3,3a,4,5,6,6a,7,8-octahydrobenzo[h][1]benzofuran-2-one
|
234.33
|
3.2
|
0
|
2
|
26.3
|
0
|
|
|
(1S,2R,4aS,4bR,7R,10aS)-1-(hydroxymethyl)-7-(3-hydroxyprop-1-en-2-yl)-1,4a-dimethyl-2,3,4,4b,5,6,7,8,10,10a-decahydrophenanthren-2-ol
|
320.50
|
3.4
|
3
|
3
|
60.69
|
3
|
|
|
(1S,2S,5R,6R,8S,11S,14R,17S,20R)-6,14-dimethyl-10,16,18-trioxahexacyclo[12.5.1.15,8.01,11.02,8.017,20]henicosane-7,9-dione
|
346.40
|
2.7
|
0
|
5
|
61.83
|
0
|
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