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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
8-Deoxylactucin 15-oxalate
|
332.30
|
0.8
|
1
|
7
|
106.97
|
4
|
|
|
(3R,3aR,5aS,5bR,7aS,11aS,11bR,13bS)-3a,5a,5b,8,8,11a-hexamethyl-3-propan-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13b-tetradecahydrocyclopenta[a]chrysene
|
410.70
|
10.5
|
0
|
0
|
0
|
1
|
|
|
methyl (1R,3aS,5aS,5bR,7aR,9S,11aR,11bR,13aR,13bR)-5a-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-9-hydroxy-5b,8,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate
|
648.90
|
9.1
|
3
|
7
|
113.29
|
8
|
|
|
(2S,3R,4R,5S,6R)-2-[[(2S,3S,4S,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]methyl]-6-(hydroxymethyl)oxane-3,4,5-triol
|
354.35
|
-3.6
|
7
|
10
|
169.3
|
5
|
|
|
(2E,6E,10E)-13-[(1R,2R,4aS,6S,8aS)-2,6-dihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-2,6,10-trimethyltrideca-2,6,10-trienoic acid
|
474.70
|
7.2
|
3
|
4
|
77.76
|
10
|
|
|
(4aS,5R,6R,8aS)-6-hydroxy-5-[(3E,7E,11E)-13-hydroxy-4,8,12-trimethyltrideca-3,7,11-trienyl]-1,1,4a,6-tetramethyl-3,4,5,7,8,8a-hexahydronaphthalen-2-one
|
458.70
|
7
|
2
|
3
|
57.53
|
10
|
|
|
(2E,6E,10E)-13-[(1R,2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-6-oxo-1,3,4,4a,7,8-hexahydronaphthalen-1-yl]-2,6,10-trimethyltrideca-2,6,10-trienoic acid
|
472.70
|
6.9
|
2
|
4
|
74.6
|
10
|
|
|
[(2R,3R,4S,5R,6R)-4-[(2R,3R,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-6-[(2R,3R,4S,5R)-2-[(1S,2S,3'R,4R,4'R,6R,7R,8R,9R,12R,13R,16R)-7-[[(2S,3R,4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3',16-dihydroxy-9,13-dimethyl-5'-methylidene-4'-[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl]oxy-5-hydroxy-4-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-5-hydroxy-2-methyloxan-3-yl] acetate
|
1531.50
|
-8.3
|
20
|
38
|
578.58
|
20
|
|
|
5-(4-Hydroxyphenyl)-10,10,16,16-tetramethyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1,4,7,13-tetraen-6-one
|
406.50
|
4.8
|
1
|
5
|
68.9
|
1
|
|
|
6-Methoxy-8,16-dimethyl-19-prop-1-en-2-yl-15-oxa-4-azapentacyclo[14.3.1.02,14.03,11.05,10]icosa-2(14),3(11),5(10),6,8,12-hexaene
|
361.50
|
6.1
|
1
|
2
|
34.25
|
2
|
|
|
8,16-Dimethyl-19-prop-1-en-2-yl-15-oxa-4-azapentacyclo[14.3.1.02,14.03,11.05,10]icosa-2(14),3(11),5(10),6,8,12-hexaene
|
331.40
|
6.2
|
1
|
1
|
25.02
|
1
|
|
|
6-Methoxy-13,16-dimethyl-19-prop-1-en-2-yl-15-oxa-4-azapentacyclo[14.3.1.02,14.03,11.05,10]icosa-2(14),3(11),5(10),6,8,12-hexaene
|
361.50
|
6.1
|
1
|
2
|
34.25
|
2
|
|
|
(1R,9R,10R,12S,13R)-4,9-dimethylspiro[6-oxatetracyclo[7.4.0.03,7.010,12]trideca-3,7-diene-13,2'-oxirane]-5-one
|
244.28
|
1.5
|
0
|
3
|
38.83
|
0
|
|
|
(3S,3aS,5R,6aR,8S,9S,9aR,9bS)-5,8-dihydroxy-3,9-dimethyl-6-methylidene-3,3a,4,5,6a,7,8,9,9a,9b-decahydroazuleno[4,5-b]furan-2-one
|
266.33
|
1.1
|
2
|
4
|
66.76
|
0
|
|
|
[(4aR,5S,7R,8S,8aR)-5-acetyloxy-7,8-dimethyl-4-methylidene-8-[2-(5-oxo-2H-furan-3-yl)ethyl]-2,3,5,6,7,8a-hexahydro-1H-naphthalen-4a-yl]methyl acetate
|
418.50
|
3.9
|
0
|
6
|
78.9
|
8
|
|
|
[(4R,4aR,5S,7R,8S,8aR)-5-acetyloxy-4-(chloromethyl)-4-hydroxy-7,8-dimethyl-8-[2-(5-oxo-2H-furan-3-yl)ethyl]-2,3,5,6,7,8a-hexahydro-1H-naphthalen-4a-yl]methyl acetate
|
471.00
|
3.2
|
1
|
7
|
99.13
|
9
|
|
|
[(3S,4R,4aR,5S,7R,8S,8aR)-8-[(2S,3aS,5R,6aR)-5-ethoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-2-yl]-3,5-diacetyloxy-7,8-dimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-4a-yl]methyl acetate
|
538.60
|
2.8
|
0
|
10
|
119.12
|
10
|
|
|
[(1R,2S,3R,4R,4aS,8aR)-2-benzoyloxy-3-hydroxy-3,4,8a-trimethyl-8-methylidene-4-[2-(5-oxo-2H-furan-3-yl)ethyl]-1,2,4a,5,6,7-hexahydronaphthalen-1-yl] benzoate
|
558.70
|
6.1
|
1
|
7
|
99.13
|
9
|
|
|
(1R,4R,4aS,6aS,6aS,6bR,7S,8aR,12aR,14aR,14bS)-1,7-dihydroxy-4,4a,6a,6b,8a,11,11,14a-octamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one
|
458.70
|
7.5
|
2
|
3
|
57.53
|
0
|
|
|
(2I+/-,3I(2))-2-[(3,4-Dihydroxybenzoyl)oxy]-3-hydroxylup-20(29)-en-28-oic acid
|
608.80
|
8.8
|
4
|
7
|
124.29
|
5
|
|
|
(5E)-5-[(2S)-2-[(3R,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]propylidene]-3-methylfuran-2-one
|
450.70
|
6.8
|
1
|
3
|
46.53
|
2
|
|
|
[(3R)-3-hydroxy-2-methyl-4-(7-oxofuro[3,2-g]chromen-4-yl)oxybutan-2-yl] acetate
|
346.30
|
2.2
|
1
|
7
|
99.11
|
6
|
|
|
4-hydroxy-6-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypyran-2-one
|
438.40
|
0.1
|
6
|
11
|
179.28
|
6
|
|
|
4-hydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypyran-2-one
|
408.40
|
0.1
|
6
|
10
|
170.05
|
5
|
|
|
6-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypyran-2-one
|
424.40
|
-0.2
|
7
|
11
|
190.28
|
5
|
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