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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
6beta-Hydroxyarjunic acid
|
504.70
|
3.8
|
5
|
6
|
118.22
|
1
|
|
|
(2R,4aS,6aR,6aS,6bR,8aR,12aR,14bR)-N,N-diethyl-2,4a,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-2-carboxamide
|
509.80
|
7.8
|
0
|
2
|
37.38
|
3
|
|
|
(1R,2S,4aR,6aR,6aS,6bR,8aR,10S,12aR,14bS)-2-acetyloxy-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
514.70
|
6.5
|
2
|
5
|
83.83
|
3
|
|
|
(3S,4R)-3-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-ethenyl-4,6-dihydro-3H-pyrano[3,4-c]pyran-8-one
|
518.50
|
-2.8
|
7
|
14
|
214.06
|
7
|
|
|
5-hydroxy-8-(3-hydroxy-3-methylbutyl)-3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
518.50
|
1.4
|
7
|
11
|
190.28
|
7
|
|
|
Uvsuzwkqqlmvqv-ctskxohzsa-
|
520.60
|
2
|
1
|
9
|
125.43
|
8
|
|
|
Diacetyl benzoyl lathyrol
|
522.60
|
5.6
|
0
|
7
|
95.97
|
7
|
|
|
[(3S,8S,9S,10R,11S,12S,13S,14R,17S)-17-acetyl-11-acetyloxy-3,8,14-trihydroxy-10,13-dimethyl-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-12-yl] benzoate
|
526.60
|
2.2
|
3
|
8
|
130.36
|
6
|
|
|
(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
534.50
|
-2.7
|
8
|
14
|
217.22
|
10
|
|
|
(1R,2R,3S,3aR,8bS)-8b-ethoxy-1-hydroxy-3a-(3-hydroxy-4-methoxyphenyl)-6,8-dimethoxy-N-methyl-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxamide
|
535.60
|
3.2
|
3
|
8
|
115.71
|
8
|
|
|
[(1R,2R,3S,4S,4aS,5R,8R,8aR)-4-[(3aR,5S,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]-5-acetyloxy-8-formyl-1-hydroxy-3,4,8a-trimethyl-1,2,3,4a,5,6,7,8-octahydronaphthalen-2-yl] (E)-3-phenylprop-2-enoate
|
540.60
|
4.1
|
1
|
8
|
108.36
|
8
|
|
|
(1S,4aS,6S,7R,7aS)-1-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
|
552.50
|
0.6
|
6
|
13
|
201.67
|
9
|
|
|
[(3R,8S,9S,10R,13S,14S,17S)-17-hydroxy-17-[(1R)-1-[(1S,2R,4R,6S)-2-hydroxy-1,6-dimethyl-3,7-dioxabicyclo[4.1.0]heptan-4-yl]ethyl]-10,13-dimethyl-1-oxo-3,4,7,8,9,11,12,14,15,16-decahydro-2H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
|
554.70
|
2
|
3
|
9
|
151.27
|
4
|
|
|
6,20,25-Trimethoxy-23-oxa-15,30-diazaheptacyclo[22.6.2.13,7.18,12.114,18.027,31.022,33]pentatriaconta-1(30),3(35),4,6,8,10,12(34),14,18,20,22(33),24,26,31-tetradecaene-9,21-diol
|
576.60
|
5
|
2
|
8
|
102.1
|
3
|
|
|
[(1S,2S,3R,5S,8R,9R,10R)-2,9-diacetyloxy-1,10-dihydroxy-8,12,15,15-tetramethyl-4-methylidene-13-oxo-5-tricyclo[9.3.1.03,8]pentadec-11-enyl] (E)-3-phenylprop-2-enoate
|
580.70
|
2.8
|
2
|
9
|
136.43
|
8
|
|
|
methyl (E)-3-[(1S,2R,4S,7S,8S,11R,12S,16S,17R,18S)-17,18-diacetyloxy-7-(furan-3-yl)-1,8,15,15-tetramethyl-5-oxo-3,6,14-trioxapentacyclo[9.7.0.02,4.02,8.012,16]octadecan-12-yl]prop-2-enoate
|
586.60
|
2.9
|
0
|
11
|
140.1
|
8
|
|
|
(1S,3R,9R,11R)-7-(3,4-dihydroxybenzoyl)-4,4,10,10-tetramethyl-3,9,11-tris(3-methylbut-2-enyl)-5-oxatricyclo[7.3.1.01,6]tridec-6-ene-8,13-dione
|
602.80
|
8.9
|
2
|
6
|
100.9
|
8
|
|
|
3-O-p-Coumaroyloleanolic acid
|
602.80
|
9.8
|
2
|
5
|
83.83
|
5
|
|
|
(2S)-2-Methyl-4-[(2R,12R,15R)-2,12,15-trihydroxy-15-[(2R,5R)-5-[(1S)-1-hydroxytridecyl]oxolan-2-yl]pentadecyl]-2H-furan-5-one
|
624.90
|
9.9
|
4
|
7
|
116.45
|
28
|
|
|
(5S)-3-[(13R)-13-Hydroxy-13-[(2R,2a(2)R,5R,5a(2)R)-octahydro-5a(2)-[(1S,5S,6R)-1,5,6-trihydroxyundecyl][2,2a(2)-bifuran]-5-yl]tridecyl]-5-methyl-2(5H)-furanone
|
638.90
|
8.4
|
4
|
8
|
125.68
|
25
|
|
|
2,4,4-Trimethyl-3-[3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-2-en-1-one
|
564.80
|
11.4
|
0
|
2
|
34.14
|
10
|
|
|
[(1R,2R,4R,6S,8R,11R,12S,13R,16R,17R,19S,20R)-17,19-diacetyloxy-8-(furan-3-yl)-4-hydroxy-1,9,11,16-tetramethyl-5,14-dioxapentacyclo[11.6.1.02,11.06,10.016,20]icos-9-en-12-yl] benzoate
|
648.70
|
4.3
|
1
|
10
|
130.73
|
8
|
|
|
(2R)-2-[(1R)-1-hydroxy-1-[(3R,8R,9S,10R,13R,14R,17S)-14-hydroxy-10,13-dimethyl-1-oxo-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,7,8,9,11,12,15,16,17-decahydro-2H-cyclopenta[a]phenanthren-17-yl]ethyl]-5-(hydroxymethyl)-4-methyl-2,3-dihydropyran-6-one
|
650.80
|
0
|
7
|
12
|
203.44
|
6
|
|
|
[(1R,2R,6S,8R,11R,12S,13R,16R,17R,19S,20R)-19-acetyloxy-8-(furan-3-yl)-1,9,11,16-tetramethyl-17-(2-methylpropanoyloxy)-4-oxo-5,14-dioxapentacyclo[11.6.1.02,11.06,10.016,20]icos-9-en-12-yl] (E)-2-methylbut-2-enoate
|
652.80
|
5
|
0
|
10
|
127.57
|
9
|
|
|
Esulatin A
|
724.80
|
2.6
|
0
|
15
|
196.63
|
15
|
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