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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
sideroxylonal C
|
500.50
|
5
|
5
|
10
|
178.66
|
8
|
|
|
3-[3,4-dimethoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-5-hydroxy-7-methoxychromen-4-one
|
506.50
|
1.1
|
5
|
12
|
177.51
|
7
|
|
|
(2S)-2-[[(2S)-2-(2-methylbut-3-en-2-ylamino)-3-phenylpropanoyl]amino]-N-[(1S)-2-methyl-1-(1,3-thiazol-2-yl)propyl]-3-phenylpropanamide
|
518.70
|
5.6
|
3
|
5
|
111.36
|
13
|
|
|
(2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoyl]oxypropanoic acid
|
522.50
|
0.6
|
8
|
13
|
223.67
|
10
|
|
|
bis[(4R,4aS,6R,7S,7aR)-2,4,7-trimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl] (2E,6E)-2,6-dimethylocta-2,6-dienedioate
|
528.80
|
6.7
|
0
|
6
|
59.08
|
9
|
|
|
3,8'-Biapigenin
|
538.50
|
5
|
6
|
10
|
181.8
|
3
|
|
|
Cassiamin B
|
538.50
|
5.1
|
6
|
10
|
189.66
|
1
|
|
|
Norstaminone A
|
540.60
|
3.8
|
1
|
9
|
133.27
|
10
|
|
|
[(5R,7R,8R,9R,10R,13S,17S)-17-[(2S,3S,5R)-5-[(2S)-3,3-dimethyloxiran-2-yl]-2-methoxyoxolan-3-yl]-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-yl] acetate
|
540.70
|
5.8
|
0
|
6
|
74.36
|
5
|
|
|
Ethyl Butylacetylaminopropionate
|
215.29
|
1.2
|
0
|
3
|
46.61
|
8
|
|
|
[(2S,3R,4R)-4-[(S)-acetyloxy-(4-acetyloxy-3-methoxyphenyl)methyl]-3-[(4-acetyloxy-3-methoxyphenyl)methyl]oxolan-2-yl] acetate
|
544.50
|
3.2
|
0
|
11
|
132.89
|
14
|
|
|
(7'S)-7'-hydroxylariciresinol tetraacetate
|
544.50
|
2.7
|
0
|
11
|
132.89
|
14
|
|
|
(1S,3R,5S,7R,9S,10S,12R,14R,15S,18R,19R,20R,22S,23R)-9,10,20,22-tetrahydroxy-7,18-dimethyl-19-(5-oxo-2H-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosane-14-carbaldehyde
|
548.60
|
0
|
4
|
10
|
151.98
|
2
|
|
|
(1S)-1-(2,4-dihydroxyphenyl)-17-(6-hydroxy-1-benzofuran-2-yl)-11-methyl-2,20-dioxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9(21),10,12,14,16,18-nonaene-5,15-diol
|
558.50
|
6.7
|
5
|
8
|
132.75
|
2
|
|
|
Oleoyl danshenxinkun A
|
560.80
|
10.4
|
1
|
5
|
80.67
|
19
|
|
|
Pavetannin A2
|
576.50
|
2.4
|
9
|
12
|
209.76
|
2
|
|
|
Malvalic acid
|
280.40
|
6.2
|
1
|
2
|
37.3
|
14
|
|
|
Glacin A
|
596.90
|
8.4
|
4
|
7
|
116.45
|
26
|
|
|
(8R,21S)-16,27-dimethoxy-7,22-dimethyl-29,31,33-trioxa-7,22-diazaoctacyclo[19.11.3.14,32.110,14.115,19.03,8.025,35.028,34]octatriaconta-1(32),2,4(36),10(38),11,13,15,17,19(37),25,27,34-dodecaen-13-ol
|
606.70
|
6.3
|
1
|
8
|
72.86
|
2
|
|
|
(2R,3R)-2-(3,5-dihydroxy-4-methoxyphenyl)-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
|
608.50
|
2.3
|
10
|
13
|
229.99
|
4
|
|
|
(2R,3R)-2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)chroman-4-one
|
612.50
|
-2
|
10
|
16
|
265.52
|
6
|
|
|
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aS,6bR,10S,12aR)-10-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
|
618.80
|
5.7
|
5
|
8
|
136.68
|
4
|
|
|
5-[[(9R,10R)-9-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl]oxy]-2,2-dimethyl-7,10-bis(2-methylbut-3-en-2-yl)pyrano[3,2-g]chromen-8-one
|
624.70
|
8
|
1
|
8
|
108.34
|
6
|
|
|
Quadranoside I
|
650.80
|
4.1
|
7
|
10
|
177.14
|
5
|
|
|
methyl (1R,2S,3R,6R,8S,9S,13S,14R,15R,16S,17R)-15,16-dihydroxy-3-(3-hydroxy-3-methylbutanoyl)oxy-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-carboxylate
|
700.70
|
-1.4
|
7
|
17
|
265.27
|
9
|
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