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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Petunidin 3-galactoside
|
479.40
|
|
8
|
11
|
200.83
|
5
|
|
|
Peonidin 3-Glucoside Chloride
|
463.40
|
|
7
|
10
|
180.6
|
5
|
|
|
Peonidin 3-monoglucoside
|
498.90
|
|
7
|
11
|
180.6
|
5
|
|
|
3-[[6-[5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid
|
551.40
|
|
9
|
14
|
255.2
|
8
|
|
|
delphinidin 3-O-(6''-O-malonyl)-beta-D-glucoside
|
551.40
|
|
9
|
14
|
255.2
|
8
|
|
|
3-[[6-[2-(3,4-Dihydroxy-5-methoxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid
|
565.50
|
|
8
|
14
|
244.2
|
9
|
|
|
3-[[6-[5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid
|
549.50
|
|
7
|
13
|
223.97
|
9
|
|
|
3-[[6-[5,7-Dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid
|
579.50
|
|
7
|
14
|
233.2
|
10
|
|
|
2-Cyclopentene-1-carbonitrile, 1-(I(2)-D-glucopyranosyloxy)-4-(sulfooxy)-, (1S,4R)-
|
367.33
|
-2.7
|
5
|
11
|
195.15
|
5
|
|
|
coumaroyl(3-OH)(-6)Glc(b)-O-EtPh(4-OH)
|
462.40
|
0.9
|
6
|
10
|
166.14
|
9
|
|
|
(8S,9S,12S,15S,18S,21S,27S)-21-[3-(diaminomethylideneamino)propyl]-12-(2-methylpropyl)-10,13,16,19,22,25-hexaoxo-9-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]-8,15-di(propan-2-yl)-2,11,14,17,20,23,26,30,32-nonazapentacyclo[16.14.2.13,7.129,32.04,33]hexatriaconta-1(33),3,5,7(36),29(35),30-hexaene-27-carboxylic acid
|
987.10
|
0.4
|
12
|
12
|
368.11
|
11
|
|
|
2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-ol
|
428.70
|
10.6
|
1
|
2
|
29.46
|
12
|
|
|
Clerosterol 3-glucoside
|
574.80
|
7.7
|
4
|
6
|
99.38
|
9
|
|
|
(2R,3R,4S,5S,6R)-2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylhept-6-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
574.80
|
7.7
|
4
|
6
|
99.38
|
9
|
|
|
(3R,3aR,4S,6E,10Z,11aR)-4-hydroxy-10-(hydroxymethyl)-3,6-dimethyl-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2-one
|
266.33
|
0.7
|
2
|
4
|
66.76
|
1
|
|
|
(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-5,5,6-trimethylhept-6-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
412.70
|
9.3
|
1
|
1
|
20.23
|
5
|
|
|
Phenethyl rutinoside
|
430.40
|
-1.7
|
6
|
10
|
158.3
|
7
|
|
|
CID 14312560
|
386.40
|
-1.6
|
5
|
8
|
136.68
|
4
|
|
|
Citroside A
|
386.40
|
-1.6
|
5
|
8
|
136.68
|
4
|
|
|
4,10-Aromadendranediol
|
238.37
|
2.3
|
2
|
2
|
40.46
|
0
|
|
|
Monoglucuronylglycyrrhetinic acid
|
646.80
|
5.1
|
5
|
10
|
170.82
|
4
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-3,4-dihydroxy-5-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylic acid
|
778.90
|
3.5
|
7
|
14
|
229.74
|
6
|
|
|
[(1S,3R,6S,8R,11S,12S,15R,16R)-15-[(2R,5S)-5,6-dimethylhept-6-en-2-yl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate
|
482.80
|
11
|
0
|
2
|
26.3
|
7
|
|
|
[7,7,12,16-Tetramethyl-15-(5,5,6-trimethylhept-6-en-2-yl)-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate
|
496.80
|
11.5
|
0
|
2
|
26.3
|
7
|
|
|
[(1S,3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-5,5,6-trimethylhept-6-en-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate
|
496.80
|
11.5
|
0
|
2
|
26.3
|
7
|
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