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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(1S,2R,3R,4S,5R,6S,8R,9S,10S,13S,16S,17R,18S)-11-ethyl-9-hydroxy-4,6,8,16,18-pentamethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-aminobenzoate
|
600.70
|
2.1
|
2
|
10
|
121.94
|
10
|
|
|
methyl (1S,12R,14R,15E,18S)-15-ethylidene-12-[(13R,14E)-14-ethylidene-12-methylidene-1,10-diazatetracyclo[11.2.2.03,11.04,9]heptadeca-3(11),4(9),5,7-tetraen-6-yl]-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate
|
600.80
|
5.3
|
2
|
4
|
64.36
|
3
|
|
|
gamma-Glutamyltyramine
|
266.29
|
-2.2
|
4
|
5
|
112.65
|
7
|
|
|
(2S,3R,4S,5R)-2-[[(1R,3R,7R,9S,17R,18R,19R,21R,22R)-22-(2-hydroxypropan-2-yl)-3,8,8,17,19-pentamethyl-23,24-dioxahexacyclo[19.2.1.01,18.03,17.04,14.07,12]tetracosa-4,11,14-trien-9-yl]oxy]oxane-3,4,5-triol
|
600.80
|
2.9
|
4
|
8
|
117.84
|
3
|
|
|
5-[(E)-2-[5-[(E)-2-(5-carboxy-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)ethenyl]-5-ethenylcyclohexen-1-yl]ethenyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
|
600.90
|
9.9
|
2
|
4
|
74.6
|
7
|
|
|
NV766Twa77
|
600.90
|
9.1
|
4
|
4
|
80.92
|
10
|
|
|
2-[[(2R,3R,4S)-1-(2-carboxy-4-hydroxyphenyl)-4-[(S)-hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]-2-(4-hydroxy-3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-hydroxybenzoic acid
|
674.60
|
2.9
|
8
|
13
|
243.62
|
10
|
|
|
2-[[(2R,3R,4S)-1-(2-carboxy-4-hydroxyphenyl)-4-[(R)-hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]-2-(4-hydroxy-3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-hydroxybenzoic acid
|
674.60
|
2.9
|
8
|
13
|
243.62
|
10
|
|
|
Cimiside E
|
602.80
|
5
|
4
|
8
|
117.84
|
3
|
|
|
(1'R,2'S,3S,13'R)-14-hydroxy-8',10,15-trimethoxy-14'-methylspiro[12-oxa-4-azapentacyclo[9.7.2.04,19.07,20.013,18]icosa-1(19),5,7(20),8,10,13(18),14,16-octaene-3,4'-6-oxa-14-azapentacyclo[9.5.1.01,5.02,13.07,17]heptadeca-7,9,11(17)-triene]-2-one
|
604.60
|
4.9
|
1
|
9
|
89.93
|
3
|
|
|
(1'R,3S,5'S,13'R)-14-hydroxy-8',10,15-trimethoxy-14'-methylspiro[12-oxa-4-azapentacyclo[9.7.2.04,19.07,20.013,18]icosa-1(19),7(20),8,10,13(18),14,16-heptaene-3,4'-6-oxa-14-azapentacyclo[9.5.1.01,5.02,13.07,17]heptadeca-2,7,9,11(17)-tetraene]-2-one
|
604.60
|
4.3
|
1
|
9
|
89.93
|
3
|
|
|
[(2R,3S,4S,5R,6S)-3,4-dihydroxy-6-(4-hydroxy-3-methoxyphenoxy)-5-(3,4,5-trihydroxybenzoyl)oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
|
606.50
|
1.2
|
9
|
16
|
262.36
|
10
|
|
|
Xyl2Ac3Ac4Ac(b1-6)b-Glc1Ac2Ac3Ac4Ac
|
606.50
|
-0.6
|
0
|
17
|
211.79
|
17
|
|
|
(1S)-9-hydroxy-20,21,25-trimethoxy-30-methyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),14,18,20,22(33),24,26,31-tridecaen-13-one
|
606.70
|
5.4
|
1
|
9
|
99.05
|
3
|
|
|
[(2R,3S)-3-[(1S,7R,8S,9S,10R,13R,14S,17R)-1-acetyloxy-7-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-1-[(2S)-2,3,3-trimethyloxiran-2-yl]butan-2-yl] pyridine-3-carboxylate
|
607.80
|
5.4
|
1
|
8
|
115.32
|
9
|
|
|
3-[(6-Deoxy-I+/--L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl I(2)-D-galactopyranosiduronic acid
|
608.50
|
-0.3
|
9
|
16
|
266.27
|
6
|
|
|
4a(2)-O-Glucosylisoswertisin
|
608.50
|
-1.3
|
9
|
15
|
249.2
|
7
|
|
|
4H-1-Benzopyran-4-one, 3,6-di-C-I(2)-D-glucopyranosyl-5,7-dihydroxy-2-(4-methoxyphenyl)-
|
608.50
|
-1.9
|
10
|
15
|
260.2
|
6
|
|
|
7-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-methoxy-2-(4-methoxyphenyl)chromen-4-one
|
608.50
|
-0.1
|
7
|
15
|
227.2
|
9
|
|
|
Gelomuloside B
|
608.50
|
-0.4
|
7
|
15
|
227.2
|
8
|
|
|
8-[2-O-(6-Deoxy-I+/--L-mannopyranosyl)-I(2)-D-glucopyranosyl]-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one
|
608.50
|
-0.9
|
9
|
15
|
249.2
|
6
|
|
|
[(3S,4R,5R)-3,4-dihydroxy-5-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl]methoxy]oxolan-3-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
608.60
|
-0.5
|
7
|
14
|
214.06
|
13
|
|
|
[(2R,3R,4R,5R,6R)-6-[(2E)-3,7-dimethylocta-2,6-dienoxy]-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (Z)-3-(4-hydroxyphenyl)prop-2-enoate
|
608.70
|
2
|
6
|
12
|
184.6
|
13
|
|
|
Gyroamericine
|
608.70
|
6.1
|
1
|
8
|
72.86
|
3
|
|
|
(3S,21S)-10,15,26-trimethoxy-4,20-dimethyl-12,28-dioxa-4,20-diazaheptacyclo[27.2.2.17,11.113,17.123,27.03,8.021,35]hexatriaconta-1(32),7(36),8,10,13(35),14,16,23(34),24,26,29(33),30-dodecaen-14-ol
|
608.70
|
6.3
|
1
|
8
|
72.86
|
3
|
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