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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Soyasaponin Ag
|
1173.30
|
1
|
10
|
25
|
372.11
|
16
|
|
|
(3S)-5-[(1R,4aS,5S,8aS)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpentan-1-ol
|
308.50
|
5
|
2
|
2
|
40.46
|
6
|
|
|
(2S,3S,4R,5R)-2-[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxyoxane-3,4,5-triol
|
435.40
|
|
8
|
10
|
191.6
|
3
|
|
|
Soyasaponin Af
|
1275.40
|
0.9
|
11
|
28
|
418.64
|
20
|
|
|
Nopyl acetate
|
208.30
|
2.6
|
0
|
2
|
26.3
|
4
|
|
|
[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,12aR,14bS)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
1353.50
|
-3.5
|
17
|
30
|
471.74
|
16
|
|
|
(-)-Syringaresnol-4-O-|A-D-apiofuranosyl-(1 inverted exclamation marku2)-|A-D-glucopyranoside
|
712.70
|
-0.8
|
7
|
17
|
233.91
|
12
|
|
|
(2S,3R,4S,5S,6R)-2-[4-[(3R,3aS,6R,6aS)-6-[4-[(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-3,5-dimethoxyphenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
874.80
|
-2.6
|
10
|
22
|
313.06
|
15
|
|
|
(2R,3S,4S,5R,6S)-6-[4-[(3R,3aS,6R,6aS)-6-[4-[(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-3,5-dimethoxyphenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenoxy]-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
|
1006.90
|
-3.8
|
12
|
26
|
371.98
|
18
|
|
|
(1R,2S,3'R,4S,5'S,6R,7S,8R,9S,12S,13S,16S,18S)-5'-hydroxy-16-[(2R,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-3,5-bis[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy]oxan-2-yl]oxy-3',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,6'-oxane]-2'-one
|
901.00
|
0.9
|
9
|
18
|
272.98
|
7
|
|
|
[(2R,3S,4S,5R,6S)-6-[[(1R,2S,3R,5R,6R,8S)-2-(benzoyloxymethyl)-6-hydroxy-8-methyl-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
|
632.60
|
-0.4
|
7
|
15
|
231.13
|
10
|
|
|
(1R,2R,4R,5R,7R,8R,9R,10R,13R,16S,17R)-11-ethyl-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadecane-4,7,16-triol
|
359.50
|
1.2
|
3
|
4
|
63.93
|
1
|
|
|
(1R,2R,4S,5R,8S,10S,12R,13S,14R,16R,17R,19R)-11-ethyl-5-methyl-18-methylidene-9-oxa-11-azaheptacyclo[15.2.1.01,14.02,12.04,13.05,10.08,13]icosane-16,19-diol
|
357.50
|
1.7
|
2
|
4
|
52.93
|
1
|
|
|
(2R,3R,4R,5R,6S)-2-[3-[4-[(1S,2R)-1,3-dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]propoxy]-6-methyloxane-3,4,5-triol
|
554.60
|
0.5
|
6
|
12
|
176.76
|
13
|
|
|
[(2S,4S,7R,9R,13S,14R,15S,16S,17S)-4-acetyloxy-15-methoxy-2,14,17-trimethyl-3,11-dioxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadecan-16-yl] 1,3-benzodioxole-5-carboxylate
|
556.60
|
3.9
|
0
|
10
|
123.66
|
6
|
|
|
Baccatin I
|
636.70
|
1.7
|
0
|
13
|
170.33
|
12
|
|
|
Crocin-4
|
504.60
|
3.9
|
4
|
9
|
142.75
|
12
|
|
|
(8R,9R,11E,14S,15R,16S)-11-ethylidene-8,15-dihydroxy-8,9-dimethyl-6,13-dioxa-1-azatricyclo[12.2.1.04,16]heptadec-3-ene-7,12-dione
|
351.40
|
0.1
|
2
|
7
|
96.3
|
0
|
|
|
[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (1R,3aS,5aR,5bR,7aR,9R,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-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
|
927.10
|
2.6
|
10
|
17
|
274.75
|
10
|
|
|
(1R,3aS,5aR,5bR,7aR,8S,9R,11aS,11bR,12R,13aR,13bR)-3a-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxycarbonyl-9,12-dihydroxy-5a,5b,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-8-carboxylic acid
|
973.10
|
0.5
|
12
|
20
|
332.28
|
11
|
|
|
(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-6-yl]-8-[(2S,3R,4S)-6-[(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
|
1139.00
|
4.6
|
19
|
23
|
421.29
|
7
|
|
|
[(1R,4S,5S,10R)-5-(3a,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl)-2-acetyloxy-4,5-dimethylspiro[9-oxatricyclo[6.2.2.01,6]dodecane-11,2'-oxirane]-10-yl] 2-methylpropanoate
|
476.60
|
3.5
|
0
|
8
|
92.82
|
6
|
|
|
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(1S,2R,5S,6R)-6-(hydroxymethyl)-6-methyl-2-bicyclo[3.1.1]heptanyl]methoxy]oxane-3,4,5-triol
|
332.39
|
-0.3
|
5
|
7
|
119.61
|
5
|
|
|
[(4S,4aS,5S,8S,8aS)-8-acetyloxy-8a-hydroxy-3,4a,5-trimethyl-9-oxo-5,6,7,8-tetrahydro-4H-benzo[f][1]benzofuran-4-yl] (Z)-2-methylbut-2-enoate
|
404.50
|
3.2
|
1
|
7
|
103.04
|
5
|
|
|
(5R,9R,10R,13S,14S,17S)-17-[(2R,3S,5R)-2-hydroxy-5-(2-methylpropyl)oxolan-3-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
|
456.70
|
7.1
|
1
|
3
|
46.53
|
3
|
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