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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Hispitolide C
|
362.40
|
1.8
|
1
|
6
|
89.9
|
4
|
|
|
Hispitolide D
|
362.40
|
2.1
|
1
|
6
|
89.9
|
4
|
|
|
[(3aS,6R,6aR,9aS,9bR)-6a-hydroxy-9a-methyl-3-methylene-2,9-dioxo-4,5,6,7,8,9b-hexahydro-3aH-azuleno[4,5-b]furan-6-yl]methyl (Z)-2-methylbut-2-enoate
|
362.40
|
1.8
|
1
|
6
|
89.9
|
4
|
|
|
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
|
610.50
|
-2.6
|
12
|
16
|
291.43
|
5
|
|
|
[(2S,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,9S,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-formyl-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
1235.40
|
-2
|
15
|
27
|
429.89
|
15
|
|
|
[(2S,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,5R)-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
|
|
|
Diarctigenin
|
742.80
|
6.9
|
2
|
12
|
148.44
|
15
|
|
|
(2S,3R,4S,5R)-2-[[(1S,2S,4S,12R,16R,18S,21R)-8-[(1S)-1,2-dihydroxy-2-methylpropyl]-2-hydroxy-4,6,12,17,17-pentamethyl-9-azahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosa-5(10),6,8,13-tetraen-18-yl]oxy]oxane-3,4,5-triol
|
613.80
|
1.7
|
6
|
9
|
152.73
|
4
|
|
|
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9S,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-9-formyl-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
1073.20
|
-0.4
|
12
|
22
|
350.74
|
12
|
|
|
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,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,5R)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-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
|
1075.20
|
-0.3
|
13
|
22
|
353.9
|
12
|
|
|
(1S,4aS,7R,8aS)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-3,4,5,6,8,8a-hexahydro-2H-naphthalene-1,7-diol
|
256.38
|
1.7
|
3
|
3
|
60.69
|
1
|
|
|
Dehydrolupinifolinol
|
420.50
|
5.7
|
3
|
6
|
100.13
|
3
|
|
|
(1S,2R)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-2-oxido-3,4-dihydro-1H-isoquinolin-2-ium-7-ol
|
345.40
|
2.5
|
2
|
5
|
81.98
|
4
|
|
|
9-hydroxy-6-methoxy-8-[(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-3H-benzo[f][2]benzofuran-1-one
|
540.50
|
-1.5
|
7
|
14
|
214.06
|
6
|
|
|
Bacopasaponin F
|
1061.20
|
0.6
|
12
|
22
|
335.06
|
12
|
|
|
[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methyl acetate
|
458.40
|
0.7
|
4
|
10
|
155.89
|
6
|
|
|
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[3-hydroxy-2-(3-methylbut-2-enyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalen-1-yl]oxyoxane-3,4,5-triol
|
568.60
|
0.4
|
9
|
13
|
218.99
|
8
|
|
|
(4S,5E,7S,10R,11R,13S)-7,10,11-trihydroxy-7,11-dimethyl-4-propan-2-yl-14-oxabicyclo[11.2.1]hexadeca-1(16),5-dien-15-one
|
352.50
|
2.4
|
3
|
5
|
86.99
|
1
|
|
|
(4S,5E,7S,10R,11R)-7,11-dimethyl-4-propan-2-yl-14-oxabicyclo[11.2.1]hexadeca-1(15),5,13(16)-triene-7,10,11-triol
|
336.50
|
3.1
|
3
|
4
|
73.83
|
1
|
|
|
[(2S,3R,4R,5S)-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-(hydroxymethyl)-5-(7-methoxy-1,3-benzodioxol-5-yl)oxolan-3-yl]methyl acetate
|
476.50
|
2
|
2
|
10
|
122.14
|
9
|
|
|
Oblonganoside A
|
674.90
|
3.4
|
5
|
10
|
155.14
|
5
|
|
|
Oblonganoside B
|
748.90
|
2.8
|
7
|
12
|
195.6
|
6
|
|
|
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-2,6a,6b,9,9,12a-hexamethyl-1-methylidene-10-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
748.90
|
3.4
|
7
|
12
|
195.6
|
6
|
|
|
granaxylocarpin B
|
582.60
|
3
|
1
|
10
|
146.41
|
9
|
|
|
6beta-hydroxyxyloccensin U
|
704.70
|
1.3
|
2
|
15
|
211.4
|
12
|
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