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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
1,7-Bis(4-hydroxyphenyl)heptan-3-one
|
298.40
|
3.9
|
2
|
3
|
57.53
|
8
|
|
|
(6,7,8,11,12,13,20,22-Octahydroxy-3,16-dioxo-2,17,23-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-4,6,8,10,12,14-hexaen-21-yl) 3,4,5-trihydroxybenzoate
|
634.50
|
0.1
|
11
|
18
|
310.66
|
3
|
|
|
(3,6a,11',12',13',16',17',18',29',30',34',35'-dodecahydroxy-2',5,8',21',26',39'-hexaoxospiro[3,3a-dihydro-2H-furo[3,2-b]furan-6,37'-3,7,22,25,36,40,42-heptaoxanonacyclo[33.2.2.14,24.15,23.131,34.01,33.09,14.015,20.027,32]dotetraconta-9,11,13,15,17,19,27,29,31-nonaene]-41'-yl) 3,4,5-trihydroxybenzoate
|
1110.80
|
-2.8
|
15
|
32
|
515.24
|
3
|
|
|
[3,6a,13',14',18',19'-hexahydroxy-2',5,10',23'-tetraoxo-7',25'-bis[(3,4,5-trihydroxybenzoyl)oxy]spiro[3,3a-dihydro-2H-furo[3,2-b]furan-6,21'-3,6,9,20,24-pentaoxahexacyclo[17.2.2.14,8.115,18.01,17.011,16]pentacosa-11,13,15-triene]-5'-yl]methyl 3,4,5-trihydroxybenzoate
|
1112.80
|
-2.5
|
15
|
32
|
515.24
|
10
|
|
|
(8R,8'R)-Matairesinol 4,4'-di-O-|A-D-glucopyranoside
|
682.70
|
-0.3
|
8
|
16
|
243.52
|
12
|
|
|
(1R,2S,3S,5R)-8-azabicyclo[3.2.1]octane-1,2,3-triol
|
159.18
|
-1.5
|
4
|
4
|
72.72
|
0
|
|
|
4-[2,13-dihydroxy-13-[3-hydroxy-5-[5-(1-hydroxyundecyl)oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one
|
638.90
|
9.3
|
4
|
8
|
125.68
|
25
|
|
|
Annonin XIV
|
638.90
|
9.3
|
4
|
8
|
125.68
|
25
|
|
|
Leiocarpin
|
350.40
|
3.7
|
0
|
5
|
46.15
|
0
|
|
|
Gossypetin hexamethyl ether
|
402.40
|
3.2
|
0
|
8
|
85.59
|
7
|
|
|
2-[4-Hydroxy-6-(hydroxymethyl)-2-[(10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-yl)oxy]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
868.10
|
1.3
|
9
|
16
|
240.69
|
8
|
|
|
Tanshinone IIA anhydride
|
310.30
|
4.6
|
0
|
4
|
60.42
|
0
|
|
|
1-Methyl-10,11-dioxonaphtho[1,2-g][1]benzofuran-6-carbaldehyde
|
290.30
|
2.8
|
0
|
4
|
64.35
|
1
|
|
|
8-methylidene-2-propan-2-yl-6,7-dihydro-5H-phenanthrene-3,4-dione
|
266.30
|
3.9
|
0
|
2
|
34.14
|
1
|
|
|
1,3-Dihydroxy-2-methoxyanthracene-9,10-dione
|
270.24
|
2.7
|
2
|
5
|
83.83
|
1
|
|
|
2,6-Di-tert-butyl-4-hydroxy-4-methyl-2,5-cyclohexadien-1-one
|
236.35
|
3.5
|
1
|
2
|
37.3
|
2
|
|
|
(5R)-5-hydroxy-4,6,6-trimethyl-5-[(E)-3-oxobut-1-enyl]cyclohex-3-en-1-one
|
222.28
|
0.5
|
1
|
3
|
54.37
|
2
|
|
|
[(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6S)-6-[(2R,3R,4R,5S,6S)-2-[(2Z,6E,10E,14S)-14-[(2S,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-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoxy]-3,5-dihydroxy-6-methyloxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-methyloxan-3-yl] (2E,6E,10E,14S)-14-[(2S,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-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoate
|
1711.90
|
0.4
|
21
|
37
|
580.35
|
43
|
|
|
Capsianside F
|
1711.90
|
0.4
|
21
|
37
|
580.35
|
43
|
|
|
Capsianoside I
|
660.70
|
0.8
|
9
|
14
|
236.06
|
17
|
|
|
Capsianoside V
|
514.60
|
1.2
|
7
|
10
|
177.14
|
15
|
|
|
(2E,6E,10Z,14S)-4-hydroxy-10-(hydroxymethyl)-2,6,14-trimethyl-14-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadeca-2,6,10,15-tetraenoic acid
|
514.60
|
1.2
|
7
|
10
|
177.14
|
15
|
|
|
(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6S)-6-[(2R,3R,4S,5S,6R)-2-[(2Z,6E,10E,14S)-14-[(2S,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-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol
|
1101.20
|
-2.8
|
16
|
26
|
415.98
|
25
|
|
|
11,15-Dihydroxy-16-kauren-19-oic acid
|
334.40
|
2.6
|
3
|
4
|
77.76
|
1
|
|
|
Paniculoside II
|
496.60
|
0.8
|
6
|
9
|
156.91
|
4
|
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