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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1S,13Z,17S,19S)-6,9-dihydroxy-5-methoxy-16-oxa-24-azapentacyclo[15.7.1.18,12.02,7.019,24]hexacosa-2(7),3,5,8,10,12(26),13-heptaen-15-one
|
421.50
|
4.3
|
2
|
6
|
79.23
|
1
|
|
|
[(1S,4R,5R,9R,10R,13R)-5,9,13-trimethyl-5-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
434.60
|
8.4
|
1
|
3
|
46.53
|
5
|
|
|
[(1S,4R,5R,9R,10R,13R)-5,9,13-trimethyl-5-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl]methyl (Z)-3-(4-hydroxyphenyl)prop-2-enoate
|
434.60
|
8.4
|
1
|
3
|
46.53
|
5
|
|
|
[(1S,4R,5R,9S,10R,11S,13S)-11-hydroxy-5,9,13-trimethyl-5-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
450.60
|
7.1
|
2
|
4
|
66.76
|
5
|
|
|
[(1S,4aS,7S,8aS)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl] (1aR,4aR,8aS)-4a,8,8-trimethyl-1,1a,4,5,6,7-hexahydrocyclopropa[j]naphthalene-2-carboxylate
|
456.70
|
7.8
|
1
|
3
|
46.53
|
4
|
|
|
[(1S,4R,5R,9S,10R,11S,13S)-11-hydroxy-5,9,13-trimethyl-5-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl]methyl (Z)-3-(4-hydroxyphenyl)prop-2-enoate
|
450.60
|
7.1
|
2
|
4
|
66.76
|
5
|
|
|
(E,4S)-3,7-dimethyloct-2-ene-1,4,7-triol
|
188.26
|
0.5
|
3
|
3
|
60.69
|
5
|
|
|
(2E,4S,6E)-3,7-dimethylocta-2,6-diene-1,4,8-triol
|
186.25
|
0.5
|
3
|
3
|
60.69
|
5
|
|
|
[(1R,2R,3R,5R,6S,8S)-6-hydroxy-8-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,9-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl benzoate
|
480.50
|
-1
|
5
|
11
|
164.37
|
7
|
|
|
(2R,3R,4S,5S,6R)-2-[(2E,4R)-4-hydroxy-3,7-dimethylocta-2,6-dienoxy]-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
|
464.50
|
-1.9
|
7
|
11
|
178.53
|
9
|
|
|
5-[6-[2-(3,4-Dihydroxyphenyl)ethyl]-4-hydroxyoxan-2-yl]-3-methoxybenzene-1,2-diol
|
376.40
|
2.4
|
5
|
7
|
119.61
|
5
|
|
|
2-O-methyl 4a-O-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2S,4aR,6aR,6aS,6bR,8aR,9R,10R,11S,12aS,13R,14bS)-10,11,13-trihydroxy-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylate
|
710.80
|
1.6
|
8
|
13
|
223.67
|
7
|
|
|
2-O-methyl 4a-O-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2S,4aR,6aR,6aS,6bR,8aR,9R,10R,11S,12aS,13R,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-13-methoxy-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylate
|
724.90
|
2.1
|
7
|
13
|
212.67
|
8
|
|
|
(2S,4aR,6aR,6aS,6bR,8aR,9R,10R,11S,12aS,13R,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-13-methoxy-2-methoxycarbonyl-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
562.70
|
3.9
|
4
|
8
|
133.52
|
5
|
|
|
(1S,4S,7S,8S,9S,11S,13S,14S,23R,24R,25S,26R,27S,29S,30S,31S,32R,34R,36R,37S,39R,40R,43R,44R,48S,55S,56R,58S,59R)-7,8,18,24,25,26,30,31,37,59-decahydroxy-32,56-bis(hydroxymethyl)-13,18,39,43,50,50,55,56-octamethyl-58-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5,10,12,15,21,28,33,35,57-decaoxadecacyclo[41.9.3.211,14.123,27.136,40.01,48.04,9.029,34.039,44.047,55]nonapentacont-46-ene-2,16,20-trione
|
1379.50
|
-2.5
|
16
|
31
|
485.65
|
5
|
|
|
(1R,3S,6S)-6-[(1E,3Z)-4-[(3R,8S,9R)-8-[(2E,4E,6E,8E,10E,12E)-13-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-7,11-dimethyltrideca-2,4,6,8,10,12-hexaen-2-yl]-3,5,6-trimethyl-3-[(4R,8R)-4,8,12-trimethyltridecyl]-2,8,9,10-tetrahydro-1H-pyrano[3,2-f]chromen-9-yl]-3-methylbuta-1,3-dienyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol
|
1013.60
|
20.1
|
2
|
5
|
71.45
|
22
|
|
|
CID 101864655
|
1029.60
|
18.5
|
3
|
6
|
91.68
|
21
|
|
|
(1R,3S,6S)-6-[(1E,3Z,5E,7E,9E,11E)-12-[(3R,8S,9R)-9-[(1E,3E)-4-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-2-methylbuta-1,3-dienyl]-3,5,6-trimethyl-3-[(4R,8R)-4,8,12-trimethyltridecyl]-2,8,9,10-tetrahydro-1H-pyrano[3,2-f]chromen-8-yl]-3,7-dimethyltrideca-1,3,5,7,9,11-hexaenyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol
|
1029.60
|
19.5
|
2
|
6
|
83.98
|
22
|
|
|
[(1S,2R,3S,7S,8R,10R,11R,15S,16S,17S)-3,17-diacetyloxy-15-(furan-3-yl)-10-(2-hydroxy-3-methylbutanoyl)oxy-2,7,16-trimethyl-5-oxo-6-oxatetracyclo[9.7.0.02,8.012,16]octadec-12-en-7-yl]methyl 2,3-dihydroxy-3-methylpentanoate
|
760.90
|
3.7
|
3
|
14
|
205.33
|
15
|
|
|
(4aS,5R,9aS)-2-(hydroxymethyl)-5,9,9-trimethyl-4,4a,6,7,8,9a-hexahydro-3H-benzo[7]annulen-5-ol
|
238.37
|
2.2
|
2
|
2
|
40.46
|
1
|
|
|
(4aR,9R,9aR)-6-(hydroxymethyl)-4,4,9a-trimethyl-2,3,4a,7,8,9-hexahydro-1H-benzo[7]annulen-9-ol
|
238.37
|
2.6
|
2
|
2
|
40.46
|
1
|
|
|
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
562.50
|
2.9
|
6
|
11
|
187.12
|
7
|
|
|
(2S)-2-methyl-4-[9-[(2S,5R)-5-[(1R,4R,5R,8R,9R)-1,4,5,8,9-pentahydroxynonadecyl]oxolan-2-yl]nonyl]-2H-furan-5-one
|
640.90
|
8.7
|
5
|
8
|
136.68
|
28
|
|
|
(2S)-4-[2-hydroxy-9-[(2S,5R)-5-[(1R,6R,7R)-1,6,7-trihydroxynonadecyl]oxolan-2-yl]nonyl]-2-methyl-2H-furan-5-one
|
624.90
|
9.5
|
4
|
7
|
116.45
|
28
|
|
|
Cyanidin 3-triglucoside
|
773.70
|
|
14
|
20
|
349.9
|
10
|
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