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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(1S,3R,6S,7S,8S,11S,12S,15R,16R)-7,12,16-trimethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]oxane-3,4,5-triol
|
588.90
|
8.3
|
4
|
6
|
99.38
|
8
|
|
|
1-[2-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,6-dihydroxyphenyl]-3-(4-hydroxyphenyl)propan-1-one
|
568.50
|
-0.7
|
9
|
14
|
236.06
|
9
|
|
|
3-Hydroxyphloretin 2'-O-glucoside
|
452.40
|
0.5
|
8
|
11
|
197.37
|
7
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,8S,8aR,9S,10R,12aS,14aR,14bR)-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-9,10-bis[[(E)-2-methylbut-2-enoyl]oxy]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
|
847.00
|
5.6
|
7
|
14
|
229.74
|
11
|
|
|
(1S,2R,4S,5R,8R,10S,13R,14R,18S,20S)-10-[(2S,3R,4S,5S)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-hydroxy-4,5,9,9,13,20-hexamethyl-22-oxahexacyclo[18.3.2.01,18.04,17.05,14.08,13]pentacos-16-en-21-one
|
1221.30
|
-2.9
|
15
|
27
|
422.05
|
13
|
|
|
1-[(12S,13R,18R)-7-[[(12S,13R,18R)-16-hydroxy-3,16,20-trimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4,6,8-tetraen-17-yl]methyl]-6-methoxy-3,20-dimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4(9),5,7,16-pentaen-17-yl]ethanone
|
704.90
|
4.4
|
1
|
7
|
81.33
|
4
|
|
|
Aloe emodin
|
270.24
|
1.8
|
3
|
5
|
94.83
|
1
|
|
|
[(1S,4aR,5S,7aS)-5-hydroxy-1-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl 4-hydroxybenzoate
|
466.40
|
-1.1
|
6
|
11
|
175.37
|
7
|
|
|
(S)-4-(1-Methoxy-1H-indol-3-yl)-2-methylbutan-1-ol
|
233.31
|
3.1
|
1
|
2
|
34.39
|
5
|
|
|
[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6S)-5-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] (3S,4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4R,5S,6R)-3-acetamido-6-[[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxy-3-[(2E,6S)-6-[(2S,3R,4R,5S,6R)-5-[(2E,6S)-2,6-dimethyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyocta-2,7-dienoyl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-2-(hydroxymethyl)-6-methylocta-2,7-dienoyl]oxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
2213.40
|
-3.7
|
26
|
49
|
770.66
|
39
|
|
|
13,26-Dimethoxy-10,23-bis(3,4,5-trimethoxyphenyl)-2,4,8,15,17,21-hexaoxapentacyclo[16.8.0.05,14.07,12.020,25]hexacosa-1(18),5(14),6,9,12,19,22,25-octaene-11,24-dione
|
772.70
|
5.8
|
0
|
16
|
171.18
|
10
|
|
|
[(8S,9S,10S,11R)-11-acetyloxy-3,9,16-trihydroxy-4,5,14,15-tetramethoxy-9,10-dimethyl-8-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaenyl] benzoate
|
582.60
|
4
|
3
|
11
|
150.21
|
9
|
|
|
Renchangianin B
|
622.70
|
5.2
|
3
|
11
|
150.21
|
10
|
|
|
[(8R,9R,10S,11R)-3,16-dihydroxy-4,5,14,15-tetramethoxy-9,10-dimethyl-11-[(E)-3-phenylprop-2-enoyl]oxy-8-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaenyl] (Z)-2-methylbut-2-enoate
|
632.70
|
6.8
|
2
|
10
|
129.98
|
11
|
|
|
[(2S,8'S,10'S,11'R)-3',14'-dihydroxy-4',5',15',16'-tetramethoxy-10'-methyl-11'-[(Z)-2-methylbut-2-enoyl]oxyspiro[oxirane-2,9'-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene]-8'-yl] benzoate
|
620.60
|
5.1
|
2
|
11
|
142.51
|
10
|
|
|
(3S,3aR,4aR,6S,8aR,9aR)-3,8a-dimethyl-5-methylidene-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-2-one
|
412.50
|
0.4
|
4
|
8
|
125.68
|
3
|
|
|
(2R,3R,4S,5S,6R)-2-[[(2S,4aS,7R,8aR)-7-(3-hydroxyprop-1-en-2-yl)-4a-methyl-1-methylidene-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
398.50
|
1.1
|
5
|
7
|
119.61
|
5
|
|
|
(2R,3R,4S,5S,6R)-2-[[(2S,4aS,7R,8aR)-7-(2-hydroxypropan-2-yl)-4a-methyl-1-methylidene-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
400.50
|
0.7
|
5
|
7
|
119.61
|
4
|
|
|
[(1S,2S,6S,7S,9R,13R,14S,15R,16S,17R)-14-acetyloxy-16-hydroxy-4-methoxy-2,6,14,17-tetramethyl-3,11-dioxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-15-yl] acetate
|
478.50
|
1.9
|
1
|
9
|
125.43
|
5
|
|
|
(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5R)-4,5-dihydroxy-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-17-[(2S,4R,5S)-4-hydroxy-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
787.00
|
2.4
|
9
|
14
|
228.22
|
7
|
|
|
[(1R,2S,4R,6R,9R,10R,11R,12S,14R,15R,18R)-6-(furan-3-yl)-10-(2-methoxy-2-oxoethyl)-7,9,11,15-tetramethyl-12-[(E)-3-phenylprop-2-enoyl]oxy-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadec-7-en-14-yl] (E)-2-methylbut-2-enoate
|
684.80
|
6
|
0
|
9
|
110.5
|
11
|
|
|
(2R,6S,7R,9R,14S,16S)-15-[(1R,2R)-1-[(3R,4R)-3,4-dimethyl-5-oxooxolan-2-yl]-1,2-dihydroxypropan-2-yl]-6,14-dihydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one
|
504.60
|
2.1
|
4
|
8
|
136.82
|
3
|
|
|
(2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one
|
566.50
|
-1.5
|
8
|
14
|
225.06
|
6
|
|
|
Theaflavanoside II
|
712.60
|
-2.6
|
10
|
18
|
283.98
|
8
|
|
|
(2S)-7-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
|
874.80
|
-4.2
|
13
|
23
|
363.13
|
11
|
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