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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(Z)-3-[(1S,2S,4S,5S,6S,7S)-5-hydroxy-10-methoxycarbonyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,8-dioxatricyclo[4.4.0.02,4]dec-9-ene-5-carbonyl]oxy-2-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
|
626.50
|
-2.1
|
7
|
17
|
260.73
|
11
|
|
|
(4aS,8aR,9aS)-9a-[(4aS,8aR,9aS)-3,8a-dimethyl-5-methylidene-2-oxo-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-9a-yl]-3,8a-dimethyl-5-methylidene-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-2-one
|
462.60
|
5.1
|
0
|
4
|
52.6
|
1
|
|
|
4-[(3S,3aR,6R,6aR)-6-(6-hydroxy-1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]benzene-1,2-diol
|
358.30
|
1.8
|
3
|
7
|
97.61
|
2
|
|
|
(1S,2S,4S,5R,6S,11R,14R,15S,18S,22R,23R)-9-hydroxy-6,10,14,15,22-pentamethyl-21-methylidene-3,24-dioxaheptacyclo[16.5.2.01,15.02,4.05,14.06,11.018,23]pentacos-9-ene-8,25-dione
|
466.60
|
4.2
|
1
|
5
|
76.13
|
0
|
|
|
(1'R,3'E,11'R,13'S,14'S)-1',11',13'-trihydroxy-3',6',6',14'-tetramethylspiro[oxirane-2,10'-tricyclo[10.3.0.05,7]pentadec-3-ene]-2'-one
|
350.40
|
1.4
|
3
|
5
|
90.29
|
0
|
|
|
MomordicosideB
|
949.10
|
-0.5
|
13
|
19
|
318.37
|
13
|
|
|
[(10S,11S,12R,13R,15R)-3,4,5,11,13,21,22,23,26,27,38,39-dodecahydroxy-8,18,30,35-tetraoxo-9,14,17,29,36-pentaoxaoctacyclo[29.8.0.02,7.010,15.019,24.025,34.028,33.032,37]nonatriaconta-1(39),2,4,6,19,21,23,25,27,31,33,37-dodecaen-12-yl] 3,4,5-trihydroxybenzoate
|
934.60
|
0.9
|
15
|
26
|
452
|
3
|
|
|
[(3S,5R,8R,9R,10R,13R,14R,17S)-17-[(2S,5R)-5-hydroxy-2,6,6-trimethyloxan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
|
502.80
|
7.8
|
1
|
4
|
55.76
|
3
|
|
|
3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
|
596.50
|
-1.2
|
10
|
16
|
269.43
|
6
|
|
|
(2S,3S,4S,5R,6S)-6-[5,6-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
|
522.40
|
0.9
|
7
|
14
|
225.81
|
6
|
|
|
Secoisolariciresinol monoglucoside
|
524.60
|
0.9
|
7
|
11
|
178.53
|
12
|
|
|
Enoxolone
|
470.70
|
6.4
|
2
|
4
|
74.6
|
1
|
|
|
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (1S,2R,4aS,6aR,6aS,6bR,8R,8aR,9R,10R,11R,12aR,14bS)-8,10,11-trihydroxy-9-(hydroxymethyl)-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-carboxylate
|
829.00
|
0.4
|
11
|
16
|
276.52
|
8
|
|
|
(2S)-2-(3,4-dimethoxyphenyl)-5-hydroxy-6,7,8-trimethoxy-2,3-dihydrochromen-4-one
|
390.40
|
3
|
1
|
8
|
92.68
|
6
|
|
|
3-[2-hydroxy-6-[[(1S)-7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-3-methoxyphenoxy]-4-methoxybenzaldehyde
|
479.50
|
4
|
2
|
8
|
97.69
|
8
|
|
|
(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-6,12-dihydroxy-4,4,6,8,10,14-hexamethyl-17-[(2S)-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-1,2,3,5,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
815.00
|
2.9
|
10
|
14
|
239.22
|
10
|
|
|
2-[(1Z,7E)-nona-1,7-dien-3,5-diynyl]furan
|
182.22
|
3.5
|
0
|
1
|
13.14
|
2
|
|
|
[(2E,8Z)-9-(furan-2-yl)nona-2,8-dien-4,6-diynyl] acetate
|
240.25
|
2.8
|
0
|
3
|
39.44
|
5
|
|
|
[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9S,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
1221.40
|
-2
|
15
|
26
|
412.82
|
14
|
|
|
2-[(1E,3Z,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-1,3,3-trimethylcyclohexene
|
536.90
|
14.5
|
0
|
0
|
0
|
13
|
|
|
[(3S,3aR,4S,6S,9R,9bS)-6,9-dihydroxy-3,6,9-trimethyl-2,7-dioxo-3,3a,4,5,8,9b-hexahydroazuleno[4,5-b]furan-4-yl] (Z)-2-methylbut-2-enoate
|
378.40
|
0.1
|
2
|
7
|
110.13
|
3
|
|
|
(4aS,6aR,6aS,6bR,8aR,9S,10S,12aR,14bS)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
634.80
|
4.7
|
6
|
9
|
156.91
|
5
|
|
|
[(2R)-1-octadecanoyloxy-3-[(Z)-octadec-9-enoyl]oxypropan-2-yl] icosanoate
|
917.50
|
25.3
|
0
|
6
|
78.9
|
57
|
|
|
[(10R,11R,13R,14R,15S)-3,4,5,14,20,21,22-heptahydroxy-8,17-dioxo-11-(3,4,5-trihydroxybenzoyl)oxy-9,12,16-trioxatetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,18,20-hexaen-13-yl]methyl 3,4,5-trihydroxybenzoate
|
786.60
|
1.2
|
13
|
22
|
377.42
|
7
|
|
|
[(1R,2R,3S,4S,4aR,11bR)-2,3,4,7-tetrahydroxy-6-oxo-2,3,4,4a,5,11b-hexahydro-1H-[1,3]dioxolo[4,5-j]phenanthridin-1-yl] (3S)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoate
|
573.50
|
-2.9
|
9
|
15
|
254.16
|
7
|
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