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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(2r)-3-(4-Hydroxy-3-methoxyphenyl)-1,2-propanediol
|
198.22
|
-0.1
|
3
|
4
|
69.92
|
4
|
|
|
(4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-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
|
767.00
|
3.1
|
8
|
13
|
215.83
|
7
|
|
|
2-O-methyl 4a-O-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2R,4aR,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylate
|
957.10
|
1.2
|
10
|
19
|
301.05
|
11
|
|
|
(1S,3R,6S,8R,11S,12S,15R,16R)-6-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-15-[(1S)-1-[(2R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]ethyl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-14-one
|
813.00
|
2
|
9
|
15
|
245.29
|
9
|
|
|
(1S,3R,6S,8R,11S,12S,15R,16R)-6-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-15-[(1S)-1-[(2R,4S,5S)-4-hydroxy-5-methyl-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxolan-2-yl]ethyl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-14-one
|
975.10
|
-0.1
|
12
|
20
|
324.44
|
12
|
|
|
(3S,3aR,4S,6aR,9S,9aR,9bR)-3,9-dimethyl-6-methylidene-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,5,6a,7,9,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2,8-dione
|
426.50
|
-0.7
|
4
|
9
|
142.75
|
3
|
|
|
2,3,4-Trihydroxy-5-[(7,13,14-trihydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaen-6-yl)oxy]benzoic acid
|
470.30
|
2
|
7
|
13
|
228.33
|
3
|
|
|
(3S,10S,13R,14R,17R)-17-[(2R)-5,6-dimethylheptan-2-yl]-10,13,14-trimethyl-1,2,3,4,5,6,7,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol
|
414.70
|
8.8
|
1
|
1
|
20.23
|
5
|
|
|
[(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxy-4,5-dihydroxy-6-[3-(4-hydroxyphenyl)prop-2-enoyloxymethyl]oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate
|
1065.90
|
|
14
|
24
|
402.5
|
18
|
|
|
[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14-hydroxy-3-[(2R,4S,5S,6R)-4-hydroxy-5-[(2S,4S,5R,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate
|
869.00
|
0.7
|
6
|
17
|
238.59
|
11
|
|
|
[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-3-[(2R,3R,4S,5R,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-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate
|
740.80
|
-0.8
|
7
|
15
|
231.13
|
8
|
|
|
[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-3-[(2R,3R,4S,5R,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-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] propanoate
|
754.90
|
-0.3
|
7
|
15
|
231.13
|
9
|
|
|
[(2R,3R,4S,5R,6S)-3,4-dihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-3-yl]oxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate
|
814.70
|
-2.7
|
12
|
22
|
354.65
|
12
|
|
|
9-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-[1]benzofuro[3,2-c]chromen-6-one
|
444.40
|
1.3
|
4
|
10
|
151.96
|
4
|
|
|
glycerol 2-O-alpha-l-fucopyranoside
|
238.23
|
-2.9
|
5
|
7
|
119.61
|
4
|
|
|
(1S,3R,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methyl-5-oxohept-6-en-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one
|
438.70
|
7.9
|
0
|
2
|
34.14
|
5
|
|
|
delta8(14)-Pimaric acid
|
302.50
|
5.5
|
1
|
2
|
37.3
|
2
|
|
|
(1S,3'R,4S,7R,10S)-3'-methyl-4-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]spiro[11-oxa-5-azatricyclo[5.3.1.01,5]undecane-10,5'-oxolane]-2'-one
|
335.40
|
2
|
0
|
6
|
65.07
|
1
|
|
|
(1R,5R,8R)-8-[(8S,9S,10R,12S,13S,14S,17R)-12-hydroxy-10,13-dimethyl-1-oxo-2,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-5-methyl-4-methylidene-2,6-dioxabicyclo[3.3.1]nonan-3-one
|
452.60
|
3.9
|
1
|
5
|
72.83
|
1
|
|
|
(2R,3S,4S,4aR,10bS)-3,4,8-trihydroxy-2-(hydroxymethyl)-7,9-dimethoxy-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-6-one
|
342.30
|
-0.6
|
4
|
9
|
134.91
|
3
|
|
|
(2R,3S,4S,4aR,10bS)-3,4,7,8,9-pentahydroxy-2-(hydroxymethyl)-10-methoxy-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-6-one
|
344.27
|
-0.8
|
6
|
10
|
166.14
|
2
|
|
|
5-hydroxy-2-(2-hydroxy-4-methoxyphenyl)-3,6-dimethoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
522.50
|
1
|
6
|
13
|
197.74
|
7
|
|
|
methyl (1S,4aR,5S,8aR)-1,4a-dimethyl-6-methylidene-5-[(3S)-3-methylpent-4-enyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate
|
318.50
|
6.2
|
0
|
2
|
26.3
|
6
|
|
|
3-O-I(2)-Cellobiosyl-D-glucose
|
504.40
|
-7.2
|
11
|
16
|
276.52
|
11
|
|
|
(1R,4R,5R)-1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-8-ene
|
204.35
|
5.1
|
0
|
0
|
0
|
1
|
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