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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
lancifodilactone H
|
444.60
|
3.6
|
2
|
5
|
83.83
|
0
|
|
|
2,3-Dimethyl-2-butanol
|
102.17
|
1.5
|
1
|
1
|
20.23
|
1
|
|
|
garcihombronane J
|
484.70
|
5.8
|
1
|
4
|
63.6
|
7
|
|
|
(3R)-8-hydroxy-3-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxy-3,4-dihydroisochromen-1-one
|
488.40
|
-1.8
|
7
|
13
|
204.83
|
5
|
|
|
(1S,16S,18R,20R,21S,22S,23R)-13-ethoxy-20-(hydroxymethyl)-17,19,24-trioxahexacyclo[14.8.1.02,7.08,25.09,14.018,23]pentacosa-2,4,6,8(25),9(14),10,12-heptaene-3,4,5,11,21,22-hexol
|
502.50
|
-0.2
|
7
|
11
|
178.53
|
3
|
|
|
(7R,16R)-11,18,19,21-tetrahydroxy-7-methyl-7-(4-methylpent-3-enyl)-16-prop-1-en-2-yl-2,8-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,10,17(22),18,20-octaen-13-one
|
502.60
|
6.7
|
4
|
7
|
120.36
|
4
|
|
|
5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
|
506.50
|
1.1
|
5
|
12
|
177.51
|
7
|
|
|
[(3S,4R,5S)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[4-(hydroxymethyl)phenoxy]oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl pyridine-3-carboxylate
|
523.50
|
-1.7
|
6
|
13
|
197.49
|
10
|
|
|
2-Hydroxyisobutyric acid
|
104.10
|
-0.4
|
2
|
3
|
57.53
|
1
|
|
|
(6S,6aS,9aS,9bR)-3-[2-[(3S,3aR,6S,6aS,9aS,9bR)-3,6a-dihydroxy-6,9a-dimethyl-2,9-dioxo-4,5,6,9b-tetrahydro-3aH-azuleno[4,5-b]furan-3-yl]ethyl]-6a-hydroxy-6,9a-dimethyl-4,5,6,9b-tetrahydroazuleno[8,7-b]furan-2,9-dione
|
540.60
|
0.9
|
3
|
9
|
147.43
|
3
|
|
|
Alpinnanin B
|
550.60
|
7.5
|
4
|
6
|
107.22
|
12
|
|
|
[(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 4-hydroxybenzoate
|
568.50
|
1.7
|
8
|
13
|
227.58
|
6
|
|
|
[(3S,4aR,6aS,6aR,6bR,8aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,6a,7,8,9,10,13,14,14a-tetradecahydropicen-3-yl] (Z)-3-(4-hydroxyphenyl)prop-2-enoate
|
572.90
|
11.7
|
1
|
3
|
46.53
|
4
|
|
|
methyl (1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4-dihydroxy-5-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylate
|
574.50
|
2.1
|
5
|
13
|
198.51
|
12
|
|
|
[(8S,9S,10S,11R)-3,9,19-trihydroxy-4,5-dimethoxy-9,10-dimethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-11-yl] (Z)-2-methylbut-2-enoate
|
584.60
|
4.6
|
3
|
11
|
150.21
|
8
|
|
|
12-Deoxyphorbaldehyde-13-hexadecanoate
|
584.80
|
8.5
|
2
|
6
|
100.9
|
17
|
|
|
(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-1,2,6a,6b,9,9,12a-heptamethyl-10-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-4,5,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-3H-picene-4a-carboxylic acid
|
586.80
|
4.6
|
4
|
7
|
116.45
|
3
|
|
|
Marianoside B
|
602.90
|
7.9
|
4
|
6
|
99.38
|
8
|
|
|
[(1S,2R,3R,5R,7S,10S,11R,14R,15S)-3-hydroxy-15-[(2S,3S,5R)-2-methoxy-5-[(1S,2R)-1,2,3-trihydroxy-2-methylpropyl]oxolan-3-yl]-2,6,6,10-tetramethyl-7-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl] 3-methylbut-2-enoate
|
618.80
|
5.7
|
4
|
8
|
125.68
|
8
|
|
|
Marianoside A
|
634.90
|
5.2
|
6
|
8
|
139.84
|
9
|
|
|
firmianone A
|
646.70
|
0.8
|
8
|
11
|
197.37
|
5
|
|
|
Sapinmusaponin F
|
779.00
|
4.5
|
6
|
12
|
176.76
|
8
|
|
|
Benzeneethanol-d5
|
127.19
|
1.4
|
1
|
1
|
20.23
|
2
|
|
|
(3aS,6aR,9aR,9bR)-3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one
|
230.30
|
2.6
|
0
|
2
|
26.3
|
0
|
|
|
(10bR)-8,9-dimethoxy-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline
|
233.31
|
2.3
|
0
|
3
|
21.7
|
2
|
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