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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
methyl (1S,4S,5R,9S,10S,12S,13R)-12-acetyloxy-14-formyl-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-5-carboxylate
|
388.50
|
4.1
|
0
|
5
|
69.67
|
5
|
|
|
Orcinol 1-O-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside
|
418.40
|
-2
|
7
|
11
|
178.53
|
6
|
|
|
rostratin A
|
428.50
|
-1.2
|
4
|
8
|
172.14
|
0
|
|
|
2-(4-hydroxyphenyl)-7-methoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
446.40
|
0.6
|
5
|
10
|
159.05
|
5
|
|
|
Thermopsoside
|
462.40
|
0.8
|
6
|
11
|
179.28
|
5
|
|
|
(2S)-2-(3,4-dimethoxyphenyl)-6-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one
|
466.60
|
6.8
|
1
|
6
|
74.22
|
9
|
|
|
withanolide A
|
470.60
|
3.3
|
2
|
6
|
96.36
|
2
|
|
|
Fomefficinic acid C
|
486.70
|
6.7
|
3
|
4
|
77.76
|
6
|
|
|
(1S,2S,4S,5R,7R,10R,11S,14S,15S,18S)-15-[(1R)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxyethyl]-5,7-dihydroxy-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadecan-9-one
|
488.60
|
2.1
|
3
|
7
|
116.59
|
2
|
|
|
(3S,7S,8S,9R,10R,13R,14S,17R)-3-hydroxy-7-methoxy-17-[(E,2R)-6-methoxy-6-methylhept-4-en-2-yl]-4,4,13,14-tetramethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-9-carbaldehyde
|
500.80
|
5.8
|
1
|
4
|
55.76
|
7
|
|
|
Neocaesalpin G
|
510.60
|
4.1
|
2
|
7
|
102.29
|
5
|
|
|
[(3S,4aR,6aR,6aS,8aR,12aR,14aR,14bR)-4,4,6a,6a,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-yl] (Z)-3-(3,4-dihydroxyphenyl)prop-2-enoate
|
588.90
|
11.3
|
2
|
4
|
66.76
|
4
|
|
|
1-O-Deacetylohchinolide A
|
604.70
|
3.9
|
1
|
9
|
121.5
|
6
|
|
|
1-O-galloyl-6-O-luteoyl-alpha-D-glucose
|
634.50
|
-0.4
|
11
|
18
|
314.57
|
7
|
|
|
[(1S,2R,4S,6R,9E,11S,12S)-12-(benzoyloxymethyl)-4,9-dimethyl-15-propan-2-ylidene-11-(pyridine-3-carbonyloxy)-5-oxatricyclo[10.3.0.04,6]pentadec-9-en-2-yl] pyridine-3-carboxylate
|
650.80
|
6
|
0
|
9
|
117.21
|
10
|
|
|
[(2S,2'S,4S,4'R,5'R,5'aS,6'S,8'S,9'aR,10'S,10'aS)-8'-acetyloxy-2',4',5',6'-tetrahydroxy-2-(4-hydroxyphenyl)-10'a-(2-hydroxypropan-2-yl)-3',5'a-dimethylspiro[1,3-dioxolane-4,9'-2,4,5,6,7,8,9a,10-octahydro-1H-benzo[f]azulene]-10'-yl] benzoate
|
668.70
|
0.8
|
6
|
12
|
192.44
|
7
|
|
|
[(1R,2R,4S,6R,9E,11S,12S)-12-(benzoyloxymethyl)-15-(2-hydroperoxypropan-2-yl)-4,9-dimethyl-11-(pyridine-3-carbonyloxy)-5-oxatricyclo[10.3.0.04,6]pentadeca-9,14-dien-2-yl] pyridine-3-carboxylate
|
682.80
|
4.5
|
1
|
11
|
146.67
|
12
|
|
|
Acacetin 7-O-(6 inverted exclamation marka inverted exclamation marka-O-|A-L-rhamnopyranosyl-|A-sophoroside)
|
754.70
|
-2.1
|
10
|
19
|
297.12
|
10
|
|
|
1,2,4,6-Tetra-o-galloyl-beta-d-glucose
|
788.60
|
1.5
|
13
|
22
|
377.42
|
13
|
|
|
cyclo[Gly-Ser-Ser-Trp-Leu-Pro-Leu-Pro]
|
838.00
|
1.5
|
9
|
10
|
271.47
|
8
|
|
|
TG(16:0/18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))
|
851.30
|
19.5
|
0
|
6
|
78.9
|
48
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,7R,8S,8aS,12aS,14aR,14bR)-7,8-dihydroxy-4,4,6a,6b,11,11,14b-heptamethyl-8a-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,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-3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
|
1283.40
|
-1.8
|
18
|
29
|
473.51
|
15
|
|
|
(6R,7aS)-6-hydroxy-7,7a-dihydro-6H-1-benzofuran-2-one
|
152.15
|
-0.1
|
1
|
3
|
46.53
|
0
|
|
|
2-Amino-5-(methylsulfanyl)pentanoic acid
|
163.24
|
-2.8
|
2
|
4
|
88.62
|
5
|
|
|
(+)-Calamenene
|
202.33
|
5.1
|
0
|
0
|
0
|
1
|
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