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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-10-hydroxy-6a-[[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-2,2,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
618.80
|
8.4
|
3
|
6
|
104.06
|
6
|
|
|
(1S,2R,4aS,6aR,6aS,6bR,8aR,9S,10S,12aR,14bS)-10-hydroxy-9-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
|
618.80
|
8.4
|
3
|
6
|
104.06
|
6
|
|
|
Latoxanthin
|
618.90
|
8.8
|
4
|
5
|
93.45
|
10
|
|
|
(1S,4R,6S)-4-[(1S)-1-[(3R,8S,9S,10R,13S,14S,17R)-1-hydroxy-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-1,6-dimethyl-3,7-dioxabicyclo[4.1.0]heptan-2-one
|
620.80
|
3.2
|
5
|
10
|
158.44
|
5
|
|
|
(13Z)-10-benzyl-6-[2-(dimethylamino)-3-(1H-indol-2-yl)propanoyl]-16-methoxy-2-oxa-6,9,12-triazatricyclo[13.3.1.03,7]nonadeca-1(19),13,15,17-tetraene-8,11-dione
|
621.70
|
4.6
|
3
|
6
|
116
|
7
|
|
|
[(1S,2S,5S,8R,9S,10S,11R,15S,18R)-18-acetyloxy-9,10-dihydroxy-12,12-dimethyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-15-yl] acetate
|
448.50
|
1.2
|
2
|
8
|
119.36
|
4
|
|
|
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
622.60
|
3.1
|
5
|
13
|
194.58
|
10
|
|
|
(2S)-4-[(E)-2-[(2S)-2-carboxy-5-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S)-3,4-dihydroxy-4-[[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxymethyl]oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxy-2,3-dihydroindol-1-yl]ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid
|
888.80
|
-0.8
|
10
|
23
|
350.79
|
17
|
|
|
(1R,14S)-6,9,20,25-tetramethoxy-15,30-dimethyl-23-oxa-15,30-diazaheptacyclo[22.6.2.13,7.18,12.114,18.027,31.022,33]pentatriaconta-3(35),4,6,8,10,12(34),18,20,22(33),24,26,31-dodecaen-21-ol
|
622.70
|
6.4
|
1
|
8
|
72.86
|
4
|
|
|
4-[(E)-2-[(1R,5R,6R,8aR)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethenyl]-2-methoxy-2H-furan-5-one
|
362.50
|
3.2
|
2
|
5
|
75.99
|
4
|
|
|
4-[(E)-2-[(1R,5R,8aR)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-6-oxo-1,3,4,4a,7,8-hexahydronaphthalen-1-yl]ethenyl]-2H-furan-5-one
|
330.40
|
2.9
|
1
|
4
|
63.6
|
3
|
|
|
(E)-3-[(1R,5R,6R,8aR)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]prop-2-enoic acid
|
294.40
|
2.6
|
3
|
4
|
77.76
|
3
|
|
|
3-O-protocatechuoyl ceanothic acid
|
622.80
|
8.5
|
4
|
8
|
141.36
|
6
|
|
|
1-[(1S,3R,6S,7S,8S,9S,10S,11S,14S,16S)-14-[(2R,4S,5R,6R)-5-[(2S,3R,4R,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-8,9-dihydroxy-7,11-dimethyl-2-oxapentacyclo[8.8.0.01,3.03,7.011,16]octadecan-6-yl]ethanone
|
668.80
|
0.7
|
4
|
12
|
165.9
|
7
|
|
|
[(1S,3R,6S,7S,8S,9S,10S,11S,14S,16S)-6-acetyl-8-acetyloxy-14-[(2R,4S,5S,6R)-4-hydroxy-5-methoxy-6-methyloxan-2-yl]oxy-7,11-dimethyl-2-oxapentacyclo[8.8.0.01,3.03,7.011,16]octadecan-9-yl] 2-methylbutanoate
|
634.80
|
3.8
|
1
|
10
|
130.12
|
10
|
|
|
[(3S,5S,8S,9S,10S,11S,12S,13S,14R,17S)-17-acetyl-3-[(2R,4S,5R,6R)-5-[(2S,3R,4R,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-8,12,14-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-11-yl] (E)-2-methylbut-2-enoate
|
768.90
|
1.5
|
5
|
14
|
199.9
|
10
|
|
|
[(3S,5S,8S,9S,10S,11S,12S,13S,14R,17S)-17-acetyl-3-[(2R,4S,5R,6R)-5-[(2S,3R,4R,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-8,12,14-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-11-yl] 2-methylbutanoate
|
770.90
|
1.7
|
5
|
14
|
199.9
|
11
|
|
|
Squamosinin A
|
622.90
|
7.5
|
3
|
8
|
114.68
|
21
|
|
|
(2S)-2-methyl-4-[(2R,10R,13R)-2,10,13-trihydroxy-13-[(2R,5R)-5-[(Z,1R)-1-hydroxypentadec-4-enyl]oxolan-2-yl]tridecyl]-2H-furan-5-one
|
622.90
|
9.1
|
4
|
7
|
116.45
|
27
|
|
|
(3aS,4R,6aS)-6,6a-bis(hydroxymethyl)-4-methoxy-3a,4-dihydro-3H-cyclopenta[b]furan-2-one
|
214.21
|
-2
|
2
|
5
|
75.99
|
3
|
|
|
(1R,4S,5R,6S,7R,11S)-6-methoxy-2,10-dioxatricyclo[5.3.1.04,11]undecane-4,5-diol
|
216.23
|
-1.2
|
2
|
5
|
68.15
|
1
|
|
|
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid
|
624.50
|
-1.1
|
10
|
17
|
286.5
|
7
|
|
|
(1R,2R,4R,5S,10R,11R,14R,15S,18R,21R,23S)-4-hydroxy-21-(hydroxymethyl)-2,7,7,10,14,15,21-heptamethyl-6,8-dioxahexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacos-24-ene-18-carboxylic acid
|
544.80
|
5.3
|
3
|
6
|
96.22
|
2
|
|
|
(2R,4aR,4bS,8R,8aR,10aR)-8-ethenyl-2-hydroxy-7-(hydroxymethyl)-1,1,4a-trimethyl-4,4b,5,8,8a,9,10,10a-octahydro-2H-phenanthren-3-one
|
318.40
|
3
|
2
|
3
|
57.53
|
2
|
|
|
5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-[(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]oxychromen-4-one
|
624.50
|
-0.6
|
9
|
16
|
258.43
|
7
|
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