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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1R,2R,7S,8S,15S,17R,20R,21R,24S,27R,28R,29R,32R)-7-(3,4-dihydroxyphenyl)-8,11-dihydroxy-1,16,16,20,21-pentamethyl-3-oxo-27-prop-1-en-2-yl-6,14-dioxaoctacyclo[15.15.0.02,15.04,13.05,10.020,32.021,29.024,28]dotriaconta-4(13),5(10),11-triene-24-carboxylic acid
|
740.90
|
9.2
|
5
|
9
|
153.75
|
3
|
|
|
(Z)-5-[(1S,4aR,5S,8aR)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoic acid
|
320.50
|
4.9
|
2
|
3
|
57.53
|
5
|
|
|
[(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-(3,4-dihydroxyphenyl)prop-2-enoate
|
604.90
|
10.2
|
3
|
5
|
86.99
|
6
|
|
|
Ethyl hexacosanoate
|
424.70
|
13.2
|
0
|
2
|
26.3
|
26
|
|
|
[(3aS,4R,6R,7E,10Z,11aS)-6-hydroxy-6,10-dimethyl-3-methylidene-2,9-dioxo-3a,4,5,11a-tetrahydrocyclodeca[b]furan-4-yl] 2-methylpropanoate
|
348.40
|
2.1
|
1
|
6
|
89.9
|
3
|
|
|
(4aS,5S,6R,8aS)-5-[2-(furan-3-yl)ethyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid
|
316.40
|
5.6
|
1
|
3
|
50.44
|
4
|
|
|
(3S)-3-[(3,4-dihydroxyphenyl)methyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one
|
302.28
|
2.5
|
4
|
6
|
107.22
|
2
|
|
|
3-[(2R)-2-hydroxy-3-methylbut-3-enyl]-4,8-dimethoxy-1-methylquinolin-2-one
|
303.35
|
2.1
|
1
|
4
|
60.69
|
5
|
|
|
(3R)-3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
|
356.40
|
4.1
|
4
|
6
|
107.22
|
3
|
|
|
(1S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-1H-isoquinolin-7-ol
|
327.40
|
3.3
|
2
|
5
|
62.16
|
4
|
|
|
(2R)-4-hydroxy-6-(4-hydroxyphenyl)-2-(2-hydroxypropan-2-yl)-9-(3-methylbut-2-enyl)-2,3-dihydrofuro[3,2-g]chromen-5-one
|
422.50
|
5
|
3
|
6
|
100.13
|
4
|
|
|
Gal(a1-6)D-Ido(a1-6)Glc(a1-2b)Psif
|
666.60
|
-8
|
14
|
21
|
347.83
|
11
|
|
|
(1R,7S,15R,19R,26S,27R,31R,32R)-7,19,27-tris(3,4-dihydroxyphenyl)-6,8,18,20,28-pentaoxaoctacyclo[17.11.1.17,15.02,17.05,16.09,14.021,30.024,29]dotriaconta-2(17),3,5(16),9,11,13,21(30),22,24(29)-nonaene-3,11,13,23,26,31,32-heptol
|
862.70
|
3.4
|
13
|
18
|
309.14
|
3
|
|
|
(E,6R)-2-methyl-6-[(1S,3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-6-[(Z)-octadec-13-enoyl]oxy-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]hept-2-enoic acid
|
721.10
|
16.5
|
1
|
4
|
63.6
|
22
|
|
|
(6R)-6-[(1S,3R,6S,8R,11S,12S,15R,16R)-6-acetyloxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-2-methyl-3-methylideneheptanoic acid
|
512.80
|
9.8
|
1
|
4
|
63.6
|
8
|
|
|
2-[17-(2-Hydroxy-2,6,6-trimethyl-7-oxabicyclo[2.2.1]heptan-1-yl)-6,11,15-trimethylheptadeca-2,4,6,8,10,12,14,16-octaen-2-yl]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-6-ol
|
600.90
|
9.4
|
2
|
4
|
58.92
|
9
|
|
|
[4-Sulfooxyimino-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylbutyl] benzoate
|
481.50
|
0
|
5
|
13
|
226.09
|
11
|
|
|
CID 132993930
|
492.40
|
0.8
|
6
|
12
|
188.51
|
6
|
|
|
4(15),5,10(14)-Germacratrien-1-ol
|
220.35
|
3.7
|
1
|
1
|
20.23
|
1
|
|
|
6,9-Dihydroxy-6,9-dimethyl-3-methylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one
|
266.33
|
1.2
|
2
|
4
|
66.76
|
0
|
|
|
Soyasaponin gamma-G
|
923.10
|
4.1
|
9
|
17
|
271.59
|
9
|
|
|
8a-[3-[4-[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyl-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxycarbonyl-3-[3-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,8-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
|
1547.60
|
-5.8
|
22
|
38
|
608.42
|
20
|
|
|
3-[3-[4,5-Dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8a-[3-[3,4-dihydroxy-6-methyl-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxycarbonyl-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
|
1399.50
|
-3.9
|
19
|
33
|
529.27
|
17
|
|
|
Orbicuside B
|
558.60
|
0.5
|
3
|
10
|
140.35
|
1
|
|
|
Gitostin
|
875.00
|
-2.4
|
10
|
19
|
293.21
|
10
|
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