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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
2-Tridecanone
|
198.34
|
5.2
|
0
|
1
|
17.07
|
10
|
|
|
Tenacissoside M
|
875.00
|
1
|
6
|
17
|
230.75
|
12
|
|
|
Epicatechin 3-O-gallate(4b->8)epigallocatechin-3-O-gallate
|
898.70
|
4.3
|
15
|
21
|
374.51
|
9
|
|
|
(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6R)-3,4-dihydroxy-6-[[(3S,5R,9R,10R,13S,14S,17S)-17-[(2R,3S,5S)-2-methoxy-5-(2-methylprop-1-enyl)oxolan-3-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol
|
925.10
|
3.4
|
8
|
16
|
235.68
|
10
|
|
|
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-10-[(2R,3R,4S,5R,6R)-4-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-11-hydroxy-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
|
1269.40
|
-2.8
|
18
|
29
|
473.51
|
16
|
|
|
[(2S,3R,4S,5S)-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl] (4aR,5R,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-5,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,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]oxymethyl]oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
1401.50
|
-5.6
|
20
|
33
|
532.43
|
17
|
|
|
rel-(+)-(3aR,6aR)-Hexahydro-1,1-dimethyl-4-methylene-1H-cyclopenta[c]furan
|
152.23
|
1.6
|
0
|
1
|
9.23
|
0
|
|
|
(1S,9R)-4,5,12-trimethyl-6-oxa-12-azatricyclo[7.2.1.02,7]dodeca-2(7),4-dien-3-one
|
219.28
|
1.4
|
0
|
3
|
33.45
|
0
|
|
|
(z)-3,3'-Dihydroxy-5-methoxystilbene
|
242.27
|
3.5
|
2
|
3
|
49.69
|
3
|
|
|
Psoracorylifol D
|
272.40
|
4.5
|
1
|
2
|
29.46
|
2
|
|
|
(4aS,10aR)-6-hydroxy-1,1,4a,7-tetramethyl-4,9,10,10a-tetrahydro-3H-phenanthren-2-one
|
272.40
|
4.1
|
1
|
2
|
37.3
|
0
|
|
|
(2R,3R,6R)-6-[(1E,3E,5E)-deca-1,3,5-trienyl]-3-methoxy-1,2-dimethylpiperidine
|
277.40
|
4.8
|
0
|
2
|
12.47
|
7
|
|
|
5-Hydroxy-8-(2-hydroxy-3-methylbut-3-enyl)-7-methoxy-2-methylchromen-4-one
|
290.31
|
3
|
2
|
5
|
79.9
|
4
|
|
|
Bauhiniastatin 3
|
300.30
|
3.5
|
2
|
5
|
68.15
|
2
|
|
|
(2R)-5-hydroxy-11-methyl-2-prop-1-en-2-yl-1,2-dihydrofuro[2,3-c]acridin-6-one
|
307.30
|
4.6
|
1
|
4
|
51.46
|
1
|
|
|
14-Deoxyandrographolide
|
334.40
|
3.4
|
2
|
4
|
66.76
|
4
|
|
|
(3S,4aS,10aS)-3-(Acetyloxy)-2,3,4,4a,10,10a-hexahydro-6-hydroxy-1,1,4a-trimethyl-7-(1-methylethyl)-9(1H)-phenanthrenone
|
358.50
|
4.7
|
1
|
4
|
63.6
|
3
|
|
|
2-methoxy-4-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoxy]methyl]phenol
|
360.40
|
3.2
|
1
|
6
|
66.38
|
9
|
|
|
Sugikurojin E
|
360.50
|
5
|
2
|
4
|
66.76
|
3
|
|
|
(2S,3S)-2-(3,4-Dihydroxy-5-methoxybenzyl)-3-(5-methoxy-3,4-methylenedioxybenzyl)butyrolactone
|
402.40
|
3.1
|
2
|
8
|
103.68
|
6
|
|
|
5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-(((2r,3s,4r,5r)-3,4,5-trihydroxytetrahydro-2h-pyran-2-yl)oxy)-4h-chromen-4-one
|
418.30
|
0.8
|
6
|
10
|
170.05
|
3
|
|
|
stilbostemin H 3'-beta-D-glucopyranoside
|
420.50
|
2.3
|
5
|
8
|
128.84
|
7
|
|
|
[(2S,3R,4R,5R)-5-(4-hydroxy-3,5-dimethoxyphenyl)-4-(hydroxymethyl)-2-(7-methoxy-1,3-benzodioxol-5-yl)oxolan-3-yl]methyl acetate
|
476.50
|
2
|
2
|
10
|
122.14
|
9
|
|
|
Abamine
|
373.40
|
3.9
|
0
|
6
|
48
|
10
|
|
|
7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-methoxy-3-(4-methoxyphenyl)chromen-4-one
|
592.50
|
-0.8
|
6
|
14
|
206.97
|
9
|
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