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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(9S,10R)-10-(1,3-benzodioxol-5-yl)-9-methyl-8-methylidene-9,10-dihydro-[1,3]dioxolo[4,5-g][2]benzoxepin-6-one
|
352.30
|
4
|
0
|
6
|
63.22
|
1
|
|
|
[(2R,3S,4S,5R,6S)-6-[(2S,3R,4R,5S,6S)-2-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-7-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
|
934.80
|
-1.1
|
14
|
24
|
395.11
|
13
|
|
|
[(2R,3S,4S,5R,6S)-6-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-7-yl]oxy-6-methyloxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
|
918.80
|
-0.8
|
13
|
23
|
374.88
|
13
|
|
|
[(2R,3S,4S,5R,6S)-6-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-7-yl]oxy-6-methyloxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
902.80
|
-0.4
|
12
|
22
|
354.65
|
13
|
|
|
[(2R,3S,4S,5R,6S)-6-[5-[5,7-dihydroxy-4-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-yl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
|
994.80
|
-1.6
|
14
|
26
|
413.57
|
16
|
|
|
[(2R,3S,4S,5R,6S)-6-[5-[3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,7-dihydroxy-4-oxochromen-2-yl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
|
1201.00
|
0.7
|
14
|
30
|
458.33
|
22
|
|
|
2-[3,4-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]phenyl]-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
788.70
|
-3.2
|
14
|
22
|
368.81
|
10
|
|
|
(3R,3'S)-3'-[(3R)-2-hydroxy-2,6-dimethylhept-5-en-3-yl]spiro[1H-quinoline-3,2'-oxirane]-2,4-dione
|
329.40
|
2.6
|
2
|
4
|
78.93
|
4
|
|
|
[(E,3S)-1-[(2R)-6-oxo-2,3-dihydropyran-2-yl]hept-1-en-3-yl] acetate
|
252.31
|
2.7
|
0
|
4
|
52.6
|
7
|
|
|
methyl (1S,3S,4R,5S)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylate
|
368.30
|
-0.1
|
5
|
9
|
153.75
|
6
|
|
|
Cryptochlorogenic acid methyl ester
|
368.30
|
-0.1
|
5
|
9
|
153.75
|
6
|
|
|
3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
|
786.70
|
-2.6
|
12
|
21
|
337.58
|
10
|
|
|
2-[(3R,3aS,4S,5S,8R,8aS)-3,4,8-trihydroxy-3,8-dimethyl-1,2,3a,4,5,6,7,8a-octahydroazulen-5-yl]prop-2-enyl acetate
|
312.40
|
1.1
|
3
|
5
|
86.99
|
4
|
|
|
[2-[(3R,3aS,4S,5R,8R,8aR)-3,4,8-trihydroxy-3,8-dimethyl-1,2,3a,4,5,6,7,8a-octahydroazulen-5-yl]-3-acetyloxy-2-hydroxypropyl] acetate
|
388.50
|
0
|
4
|
8
|
133.52
|
7
|
|
|
(4-Acetyloxy-2-methyl-3,6-dioxo-5-tridecylcyclohexa-1,4-dien-1-yl) acetate
|
420.50
|
7.1
|
0
|
6
|
86.74
|
16
|
|
|
(2R,3S,4S,5R,6R)-2-methyl-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S,18S,19R)-19-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxyoxan-2-yl]methoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol
|
903.10
|
-0.2
|
10
|
18
|
276.14
|
8
|
|
|
Ellagic acid 4-O-alpha-L-arabinofuranoside
|
434.30
|
-0.1
|
6
|
12
|
200.26
|
3
|
|
|
Ellagic acid acetyl-arabinoside
|
476.30
|
-0.1
|
5
|
13
|
206.33
|
4
|
|
|
(E,6S)-6-[(2R,5S)-5-[(2R,5R)-5-[(2S,5R)-5-[(E,2S)-6-hydroxy-6-methylhept-4-en-2-yl]oxolan-2-yl]oxolan-2-yl]oxolan-2-yl]-2-methylhept-3-en-2-ol
|
464.70
|
4.6
|
2
|
5
|
68.15
|
10
|
|
|
(3S,6S)-3-benzyl-6-[(2S)-butan-2-yl]piperazine-2,5-dione
|
260.33
|
2.4
|
2
|
2
|
58.2
|
4
|
|
|
(2S)-2-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-2-(carboxymethoxy)acetic acid
|
750.90
|
5.4
|
6
|
13
|
209.51
|
10
|
|
|
Oxamide
|
88.07
|
-1.6
|
2
|
2
|
86.18
|
0
|
|
|
2,3-Dihydro-2-methylbenzofuran
|
134.17
|
2.4
|
0
|
1
|
9.23
|
0
|
|
|
[(1S,3R,6S,8R,11S,12S,15R,16R)-15-[(2R,5R)-5,6-dimethylhept-6-en-2-yl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] formate
|
468.80
|
11
|
0
|
2
|
26.3
|
7
|
|
|
Notoginsenoside L
|
1079.30
|
0.3
|
14
|
22
|
357.06
|
15
|
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