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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1S,3aR,3'aR,4S,6aR,7'S,9'aR,9'bS)-7'-[(2R,4R,5S,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-1,3a,9'a-trimethylspiro[1,5,6,6a-tetrahydrocyclopenta[c]furan-4,3'-4,6,7,8,9,9b-hexahydro-3aH-benzo[g][2]benzofuran]-1',3-dione
|
504.60
|
2.8
|
1
|
8
|
100.52
|
3
|
|
|
[(2R,3S,4R,6R)-6-[(1S,3aR,3'aR,4S,6aR,7'S,9'aR,9'bS)-1,3a,9'a-trimethyl-1',3-dioxospiro[1,5,6,6a-tetrahydrocyclopenta[c]furan-4,3'-4,6,7,8,9,9b-hexahydro-3aH-benzo[e][2]benzofuran]-7'-yl]oxy-4-methoxy-2-methyloxan-3-yl] acetate
|
546.60
|
3.3
|
0
|
9
|
106.59
|
5
|
|
|
Longan cerebroside II
|
826.20
|
13.9
|
7
|
9
|
168.94
|
40
|
|
|
(8R,14R)-7-hydroxy-2,2,4,4,10,10,12,12-octamethyl-6-(3-methylbutanoyl)-8,14-bis(2-methylpropyl)-8,14-dihydrochromeno[2,3-a]xanthene-1,3,9,11-tetrone
|
674.90
|
9.2
|
1
|
8
|
124.04
|
7
|
|
|
(2S,3R,4S,5S,6R)-2-[4-[(1R,2S)-1,3-dihydroxy-2-[4-(3-hydroxybutyl)-2,6-dimethoxyphenoxy]propyl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
614.60
|
0.2
|
7
|
14
|
206.22
|
15
|
|
|
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(2S,3R)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2,6-dimethoxyphenoxy]oxane-3,4,5-triol
|
552.60
|
0.3
|
6
|
12
|
176.76
|
11
|
|
|
(2S,3R,4S,5R)-2-[[(1S,2R,3R,7R,9S,12R,14R,17R,18R,19R,21R,22S)-2-hydroxy-22-(2-methoxypropan-2-yl)-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracos-4-en-9-yl]oxy]oxane-3,4,5-triol
|
632.80
|
3.5
|
4
|
9
|
127.07
|
4
|
|
|
(2S,3R,4S,5R)-2-[[(1R,2R,3R,7R,9S,12R,14R,17R,18R,19R,21R,25R)-2,24-dihydroxy-3,8,8,17,19,24-hexamethyl-22,26,27-trioxaoctacyclo[19.5.1.01,18.03,17.04,14.07,12.012,14.021,25]heptacos-4-en-9-yl]oxy]oxane-3,4,5-triol
|
632.80
|
2.1
|
5
|
10
|
147.3
|
2
|
|
|
(2S,3R,4S,5R)-2-[[(1R,4R,5R,6R,8R,10R,11R,12R,16R,18S,21R)-8-[(1R)-1,2-dihydroxy-2-methylpropyl]-10,11-dihydroxy-4,6,12,17,17-pentamethyl-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-13-en-18-yl]oxy]oxane-3,4,5-triol
|
636.80
|
1.9
|
7
|
10
|
169.3
|
4
|
|
|
[(2R,3R,4R,5R,6R)-6-[[(1R,4R,5R,6R,8R,10R,11R,12R,16R,18S,21R)-8-[(1R)-1-acetyloxy-2-hydroxy-2-methylpropyl]-10,11-dihydroxy-4,6,12,17,17-pentamethyl-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-13-en-18-yl]oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] acetate
|
750.90
|
2.5
|
6
|
13
|
201.67
|
9
|
|
|
4-[(2S,3S,4S)-4-[(S)-(4-hydroxy-3-methoxyphenyl)-methoxymethyl]-3-(hydroxymethyl)oxolan-2-yl]-2-methoxyphenol
|
390.40
|
1.8
|
3
|
7
|
97.61
|
7
|
|
|
(1R,4R,7R,9R,10S,13R,15S)-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-7,15-diol
|
304.50
|
3.9
|
2
|
2
|
40.46
|
0
|
|
|
(1S,4R,7R,9R,10S,13S,15S,16R)-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-7,15,16-triol
|
320.50
|
2.7
|
3
|
3
|
60.69
|
0
|
|
|
(2S,4E,6S)-6-hydroxy-2-pentyl-2,3,6,7,8,9-hexahydrooxecin-10-one
|
240.34
|
3.2
|
1
|
3
|
46.53
|
4
|
|
|
3-[2-[(1R,2R,4aS,8aS)-1-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalen-1-yl]ethyl]-1H-pyrrole-2-carbonitrile
|
328.50
|
5.4
|
2
|
2
|
59.81
|
3
|
|
|
ethyl 4-[3-[2-[(1R,2R,4aS,8aS)-1-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalen-1-yl]ethyl]-2-cyanopyrrol-1-yl]butanoate
|
442.60
|
5.8
|
1
|
4
|
75.25
|
9
|
|
|
4-[3-[2-[(1R,2R,4aS,6S,8aS)-6-acetyloxy-1-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalen-1-yl]ethyl]-2-cyanopyrrol-1-yl]butanoic acid
|
472.60
|
4.3
|
2
|
6
|
112.55
|
9
|
|
|
[(1R,3R,4R,4aS,8aS)-4-[2-[2-cyano-1-(2-hydroxyethyl)pyrrol-3-yl]ethyl]-4-hydroxy-3,4a,8,8-tetramethyl-2,3,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate
|
430.60
|
4
|
2
|
5
|
95.48
|
7
|
|
|
(1S,2R,3S,9S,10R,11R,14R,17S,18R,19S)-12-ethyl-9,17,19-trihydroxy-14-methyl-5-oxa-12-azahexacyclo[8.7.2.12,6.01,11.03,9.014,18]icosan-4-one
|
377.50
|
0.6
|
3
|
6
|
90.23
|
1
|
|
|
5-[(3S,3aR,6S,6aR)-3-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,3-dimethoxyphenol
|
388.40
|
2.3
|
2
|
7
|
86.61
|
5
|
|
|
Xindongnin C
|
434.50
|
2
|
2
|
7
|
110.13
|
4
|
|
|
Multifidoside A
|
624.60
|
-2
|
9
|
15
|
237.45
|
10
|
|
|
(1S,2R,7S,8E,10R)-7-hydroxy-2-methyl-3,11-dioxabicyclo[8.1.0]undec-8-en-4-one
|
198.22
|
0.1
|
1
|
4
|
59.06
|
0
|
|
|
2-(3,4-dihydroxyphenyl)-6-[[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]methyl]-5-hydroxy-3,7-dimethoxychromen-4-one
|
466.50
|
5.9
|
3
|
7
|
109.36
|
5
|
|
|
2,6-Dimethoxy-4-(1,3-thiazol-5-ylmethyl)phenol
|
251.30
|
2.5
|
1
|
5
|
79.82
|
4
|
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