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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Corchoriside B
|
518.60
|
1.5
|
4
|
8
|
125.68
|
3
|
|
|
Akebiasaponin D
|
929.10
|
0.8
|
11
|
18
|
294.98
|
10
|
|
|
[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-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
|
1237.40
|
-1.9
|
16
|
27
|
433.05
|
15
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-9-acetyloxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(E)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
|
1131.30
|
0.7
|
13
|
24
|
388.04
|
16
|
|
|
(3S,3aS,6S,6aS)-3,6-bis(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan
|
386.40
|
2.9
|
0
|
6
|
55.38
|
6
|
|
|
(1S,4aR,5S,7S,8S,8aR)-7-acetyloxy-8-benzoyloxy-5-[(E)-5-hydroxy-3-methylpent-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
|
498.60
|
5.1
|
2
|
7
|
110.13
|
10
|
|
|
(1R,4aS,5S,6R,7R,8S,8aR)-7-acetyloxy-8-benzoyloxy-5-[(E)-5-hydroxy-3-methylpent-3-enyl]-1,4a-dimethylspiro[3,4,5,7,8,8a-hexahydro-2H-naphthalene-6,2'-oxirane]-1-carboxylic acid
|
514.60
|
4.4
|
2
|
8
|
122.66
|
10
|
|
|
(1S,4aR,5S,7S,8S,8aR)-8-benzoyloxy-7-hydroxy-5-[(E)-5-hydroxy-3-methylpent-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
|
456.60
|
4.6
|
3
|
6
|
104.06
|
8
|
|
|
[(2R,3S,4S,5R,6S)-6-[2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
638.60
|
2.8
|
6
|
14
|
214.81
|
10
|
|
|
8-C-I+/--L-Arabinopyranosylapigenin
|
402.40
|
0.3
|
6
|
9
|
160.82
|
2
|
|
|
(2S,3R,4S,5R,6R)-6-[(2R,3R,4S,5S,6S)-2-[[(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]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
|
822.90
|
3.7
|
8
|
16
|
267.04
|
7
|
|
|
Uralsaponin S
|
971.10
|
1.8
|
11
|
20
|
329.12
|
9
|
|
|
Uralsaponin T
|
955.10
|
2.8
|
10
|
19
|
308.89
|
8
|
|
|
(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aR,9R,11R,12aS,14aR,14bS)-9-acetyloxy-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]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
|
881.00
|
3
|
8
|
18
|
293.34
|
9
|
|
|
[(2R,4R,4aR,6aR,6aS,6bR,8aR,10S,12aS,14bS)-2-formyl-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picen-4-yl] acetate
|
512.70
|
5.6
|
1
|
5
|
80.67
|
3
|
|
|
(2E,4E,8E,10Z,14Z)-N-(2-methylpropyl)octadeca-2,4,8,10,14-pentaen-12-ynamide
|
325.50
|
6.2
|
1
|
1
|
29.1
|
10
|
|
|
(2E,4E,9Z)-N-(2-methylpropyl)hexadeca-2,4,9-trien-12,14-diynamide
|
297.40
|
5.2
|
1
|
1
|
29.1
|
10
|
|
|
(2E,4E,9E,12E)-N-(2-methylbutyl)hexadeca-2,4,9,12-tetraenamide
|
317.50
|
6.4
|
1
|
1
|
29.1
|
13
|
|
|
methyl (1R,9S,10S,12S,13E,16S,17R,18S)-13-ethylidene-18-hydroxy-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-17-carboxylate
|
352.40
|
2
|
2
|
5
|
61.8
|
2
|
|
|
(3S,4S)-4-acetyl-3-methyloxolan-2-one
|
142.15
|
0.1
|
0
|
3
|
43.37
|
1
|
|
|
(E)-5-[(1S,4aR,6S,8aR)-6-acetyloxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpent-2-enoic acid
|
362.50
|
5.1
|
1
|
4
|
63.6
|
6
|
|
|
(1R,2S,3S,7R,9R,12R,13R,14S,15R,16R,17S)-3,7,12,13,15,16-hexahydroxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-5-ene-4,11-dione
|
412.40
|
-2.1
|
6
|
9
|
164.75
|
0
|
|
|
methyl (1R,9R,16R,18S,21R)-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7-triene-18-carboxylate
|
338.40
|
2.9
|
1
|
4
|
41.57
|
2
|
|
|
(1R,4R)-1-hydroxy-16-methoxy-4-methyl-3-oxabicyclo[10.4.0]hexadeca-12,15-diene-2,7,14-trione
|
322.40
|
0.5
|
1
|
6
|
89.9
|
1
|
|
|
(1R,4R)-1-hydroxy-16-methoxy-4-methyl-3-oxabicyclo[10.4.0]hexadeca-12,15-diene-2,8,14-trione
|
322.40
|
0.4
|
1
|
6
|
89.9
|
1
|
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