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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
methyl (1S,4aR,7aR)-1-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4a-hydroxy-7-(hydroxymethyl)-5,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylate
|
566.50
|
-4.5
|
9
|
16
|
254.52
|
9
|
|
|
1,2-Dihydrobruceajavanin A
|
570.80
|
5.6
|
0
|
7
|
91.43
|
6
|
|
|
Rhaponticin 6''-O-gallate
|
572.50
|
1.9
|
8
|
13
|
215.83
|
9
|
|
|
orthosiphol G
|
572.60
|
3.1
|
3
|
10
|
156.66
|
8
|
|
|
[(3R,4aR,6aR,6aS,8aR,12aR,14aR,14bR)-4,4,6a,6a,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-yl] (Z)-3-(4-hydroxyphenyl)prop-2-enoate
|
572.90
|
11.6
|
1
|
3
|
46.53
|
4
|
|
|
Eupatoriochromene
|
218.25
|
2.7
|
1
|
3
|
46.53
|
1
|
|
|
Obovatol
|
282.30
|
4.9
|
2
|
3
|
49.69
|
6
|
|
|
(2S,3R,4S,5S,6R)-2-[4-[(1R,2R)-1,3-dihydroxy-2-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]propyl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
598.60
|
-0.4
|
7
|
14
|
206.22
|
14
|
|
|
Xylomaticin
|
624.90
|
9.5
|
4
|
7
|
116.45
|
28
|
|
|
Isocorilagin
|
634.50
|
0.1
|
11
|
18
|
310.66
|
3
|
|
|
Lapathoside D
|
634.60
|
-0.2
|
8
|
15
|
242.13
|
13
|
|
|
1,4,6-tri-O-galloyl-beta-D-glucose
|
636.50
|
0.4
|
11
|
18
|
310.66
|
10
|
|
|
Nepodin
|
216.23
|
3.1
|
2
|
3
|
57.53
|
1
|
|
|
Tuberostemonine
|
375.50
|
3.9
|
0
|
5
|
55.84
|
2
|
|
|
(4aR,5R,6aS,6bR,10S,12aR)-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methoxycarbonyloxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
662.80
|
5.9
|
5
|
10
|
162.98
|
5
|
|
|
(1S,4R,9R,10R,11R,12S,13Z,16R)-11-hydroxy-13-[(2Z)-2-[(1S,4R,9R,10R,11R,12S,16R)-11-hydroxy-5,5,9-trimethyl-14,18-dioxo-15,17-dioxapentacyclo[9.5.2.01,10.04,9.012,16]octadecan-13-ylidene]ethylidene]-5,5,9-trimethyl-15,17-dioxapentacyclo[9.5.2.01,10.04,9.012,16]octadecane-14,18-dione
|
690.80
|
6.2
|
2
|
10
|
145.66
|
1
|
|
|
[(2R,4R,4bS,5R,6S,7S,10R,10aR)-6,7,10-triacetyloxy-5-benzoyloxy-2-formyl-10a-hydroxy-4b-(hydroxymethyl)-2,8,8-trimethyl-1-oxo-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-4-yl] benzoate
|
736.80
|
3.5
|
2
|
14
|
206.1
|
14
|
|
|
(1R,2S,3R,6R,8S,9S,13S,14R,15R,16S,17R)-3-[(E)-4-acetyloxy-3,4-dimethylpent-2-enoyl]oxy-15,16-dihydroxy-9,13-dimethyl-4,10-dioxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylic acid
|
754.70
|
-0.3
|
7
|
18
|
282.34
|
10
|
|
|
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(1S,2R,10R,11R,16R,18R,20R,22S)-18-(2-hydroxypropan-2-yl)-2,6,6,10,16-pentamethyl-17,21,23-trioxaheptacyclo[20.2.1.01,14.02,11.05,10.015,22.016,20]pentacosan-7-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
797.00
|
2.4
|
7
|
14
|
206.22
|
6
|
|
|
Eclalbasaponin I
|
797.00
|
3.5
|
9
|
14
|
236.06
|
7
|
|
|
Axinastatin 5
|
893.10
|
5
|
6
|
9
|
226.66
|
9
|
|
|
Araloside A
|
927.10
|
2.8
|
10
|
18
|
291.82
|
10
|
|
|
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9S,10R,11S,12aR,14bS)-10-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-9-formyl-11-hydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
973.10
|
0.2
|
12
|
20
|
332.28
|
11
|
|
|
[(2R,3R,4S,5R)-5-[(2R,3R,4S,5S,6R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-hydroxyoxan-2-yl]oxy-3-hydroxy-4-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-5-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]oxolan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
996.90
|
3
|
5
|
23
|
314.33
|
26
|
|
|
Aculeoside A
|
1009.10
|
0.4
|
6
|
21
|
291.19
|
12
|
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