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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Malasseziazole B
|
356.30
|
3.7
|
3
|
4
|
103.02
|
3
|
|
|
Malasseziacitrin
|
441.50
|
5
|
3
|
2
|
73.67
|
2
|
|
|
[(1R,3aR,5aR,5bR,7aR,9R,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
572.90
|
12.2
|
1
|
3
|
46.53
|
5
|
|
|
[(1R,3aR,5aR,5bR,7aR,9R,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] (Z)-3-(4-hydroxyphenyl)prop-2-enoate
|
572.90
|
12.2
|
1
|
3
|
46.53
|
5
|
|
|
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,7S,8R,9R,10S,13R,14R,17S)-17-[(E,2R)-2,3-dihydroxy-6-methoxy-6-methylhept-4-en-2-yl]-7-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
815.00
|
2.3
|
9
|
14
|
228.22
|
10
|
|
|
(1S,9R,10S)-3-hydroxy-4,12-dimethoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraen-13-one
|
315.40
|
1.7
|
2
|
5
|
67.79
|
2
|
|
|
(3,4-dihydroxyphenyl)-[(1S,3R,5S,7R,9R,11S,12R,13R)-5-(3,4-dihydroxyphenyl)-12,13-dihydroxy-11-(hydroxymethyl)-2,4,8,10-tetraoxatricyclo[7.4.0.03,5]tridecan-7-yl]methanone
|
492.40
|
-0.2
|
7
|
12
|
198.9
|
4
|
|
|
Peracitol
|
212.20
|
-3.7
|
7
|
7
|
141.61
|
6
|
|
|
8-[5,7-dihydroxy-4-oxo-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-8-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
|
700.60
|
3.2
|
9
|
15
|
260.95
|
6
|
|
|
Galgravin
|
372.50
|
4.4
|
0
|
5
|
46.15
|
6
|
|
|
(4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S,6S)-4-[(2S,3R,4S,5S)-3,5-diacetyloxy-4-hydroxyoxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
967.10
|
3.3
|
7
|
18
|
266.66
|
12
|
|
|
4-[(E,4S,5S)-5-(4-hydroxyphenyl)-5-methoxy-4-(methoxymethyl)pent-1-enyl]phenol
|
328.40
|
3.6
|
2
|
4
|
58.92
|
8
|
|
|
4-[(E,4S,5R)-5-ethoxy-5-(4-hydroxyphenyl)-4-(methoxymethyl)pent-1-enyl]phenol
|
342.40
|
4
|
2
|
4
|
58.92
|
9
|
|
|
alpha-Camphorene
|
272.50
|
7.1
|
0
|
0
|
0
|
7
|
|
|
(1R,2S,4S,7R,8S)-6-acetyl-1'-methoxyspiro[10-oxa-5-azatricyclo[5.3.1.04,8]undec-5-ene-2,3'-indole]-2'-one
|
340.40
|
0.3
|
0
|
5
|
68.2
|
2
|
|
|
(1S,3S,5S,6S,9S,10R)-10-hydroxy-1',6'-dimethoxy-1-propanoylspiro[7-oxa-2-azatricyclo[4.3.1.03,9]decane-5,3'-indole]-2'-one
|
388.40
|
0.3
|
2
|
7
|
97.33
|
4
|
|
|
(1S,3R,9R,12S,13S,17S)-8,8,13,17-tetramethyl-7-oxapentacyclo[10.7.0.01,3.03,9.013,17]nonadecane-6,16-dione
|
344.50
|
4.1
|
0
|
3
|
43.37
|
0
|
|
|
(2S,10R,13S,15R)-2,10-dihydroxy-15-methyl-6-oxido-6-azoniatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one
|
295.37
|
0
|
2
|
4
|
80.59
|
0
|
|
|
(1S,2S,5R,8S,11R,12R,13R,17R)-12-(hydroxymethyl)-5,12-dimethyl-14-oxapentacyclo[11.2.2.15,8.01,11.02,8]octadec-6-ene-13,17-diol
|
334.40
|
3.4
|
3
|
4
|
69.92
|
1
|
|
|
Tribuloside
|
594.50
|
2.5
|
7
|
13
|
216.58
|
8
|
|
|
(6E,8E,10E,12E,14E,16E,18Z,20E,22Z,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene
|
536.90
|
15.6
|
0
|
0
|
0
|
16
|
|
|
(1S,2S,3S,4R,5S,6S)-5-methoxy-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycyclohexane-1,2,3,4-tetrol
|
518.50
|
-6.9
|
11
|
16
|
268.68
|
7
|
|
|
[(5R,7R,8R,9R,10R,13S,17S)-17-[(1R,4S,6S)-1-(2-hydroxypropan-2-yl)-2,7-dioxabicyclo[4.1.0]heptan-4-yl]-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-yl] acetate
|
526.70
|
5
|
1
|
6
|
85.36
|
4
|
|
|
[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-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]chrysen-9-yl] (Z)-3-(4-hydroxyphenyl)prop-2-enoate
|
588.90
|
10.6
|
2
|
4
|
66.76
|
6
|
|
|
5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2-(4-hydroxyphenyl)chromen-4-one
|
756.70
|
-2
|
12
|
20
|
328.35
|
9
|
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