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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(1S,2S,3R,4aR,5R,6S,8S,8aR)-5-[(5S)-3a,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]-8-acetyloxy-8a-(acetyloxymethyl)-3-hydroxy-5,6-dimethylspiro[3,4,4a,6,7,8-hexahydro-2H-naphthalene-1,2'-oxirane]-2-yl] propanoate
|
522.60
|
2.1
|
1
|
10
|
130.12
|
9
|
|
|
[(1S,2S,3R,4aR,5R,6S,8S,8aR)-5-[(5S)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]-8-acetyloxy-8a-(acetyloxymethyl)-3-hydroxy-5,6-dimethylspiro[3,4,4a,6,7,8-hexahydro-2H-naphthalene-1,2'-oxirane]-2-yl] propanoate
|
524.60
|
1.9
|
1
|
10
|
130.12
|
9
|
|
|
2-methyl-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanenitrile
|
231.25
|
-1.4
|
4
|
6
|
113.94
|
2
|
|
|
(1S,11R,19R)-11-hydroxy-19-methoxy-5,7-dioxa-13-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,15,17-pentaen-14-one
|
327.30
|
0.2
|
1
|
5
|
68.23
|
1
|
|
|
(2S,4aS,4bR,10aS)-2-ethenyl-2,8,8-trimethyl-1,3,4,4a,4b,5,6,7,10,10a-decahydrophenanthrene
|
258.40
|
6.6
|
0
|
0
|
0
|
1
|
|
|
(2R,3S,4R,5S)-2-[(4-hydroxyphenyl)methyl]oxane-2,3,4,5-tetrol
|
256.25
|
-1.1
|
5
|
6
|
110.38
|
2
|
|
|
Oleoside
|
390.34
|
-2.3
|
6
|
11
|
183.21
|
6
|
|
|
5-Hydroxy-2-methoxy-1,4-naphthoquinone
|
204.18
|
1.5
|
1
|
4
|
63.6
|
1
|
|
|
beta-Bisabolene
|
204.35
|
5.2
|
0
|
0
|
0
|
4
|
|
|
(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S,18S,19S)-5',7,9,13-tetramethyl-16,19-bis[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]spiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one
|
770.90
|
0.3
|
8
|
15
|
234.29
|
6
|
|
|
[(3S,3aR,4S,6S,8R,9S,9aS,9bS)-6,9-dihydroxy-8-methoxy-3,6,9-trimethyl-2-oxo-3a,4,5,8,9a,9b-hexahydro-3H-azuleno[4,5-b]furan-4-yl] acetate
|
354.40
|
-0.4
|
2
|
7
|
102.29
|
3
|
|
|
cyclo(-Phe1-Pro1-Pro2-Pro3-Phe2-Phe3-Val-Ile-Ala-)
|
1016.20
|
5.7
|
6
|
9
|
235.53
|
9
|
|
|
cyclo[Gly-Leu-Pro-Phe-Tyr-Pro]
|
674.80
|
2.8
|
5
|
7
|
177.25
|
6
|
|
|
[(2S,3R,4R,5R,6S)-2-[5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)chromen-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl] 4-hydroxybenzoate
|
584.50
|
2.4
|
8
|
14
|
236.81
|
6
|
|
|
(3R,3aS,4S,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-3,13-dihydroxy-3-(2-hydroxypropan-2-yl)-5a,5b,8,8,11a,13b-hexamethyl-4-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-1,2,3a,4,5,6,7,7a,10,11,11b,12,13,13a-tetradecahydrocyclopenta[a]chrysen-9-one
|
622.80
|
2.6
|
6
|
9
|
156.91
|
3
|
|
|
(3S,3aS,4S,5aR,5bR,7aR,11aR,11bR,13aR,13bS)-13-hydroxy-3-(2-hydroxypropan-2-yl)-5a,5b,8,8,11a,13b-hexamethyl-4-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-2,3,3a,4,5,6,7,7a,10,11,11b,12,13,13a-tetradecahydro-1H-cyclopenta[a]chrysen-9-one
|
606.80
|
3.8
|
5
|
8
|
136.68
|
3
|
|
|
Isofraxetin
|
208.17
|
1.2
|
2
|
5
|
79.9
|
1
|
|
|
2-Hydroxyvirensic acid
|
374.30
|
3.1
|
4
|
9
|
150.59
|
2
|
|
|
(1R,2S,6R,10S,11R,13S,15R)-1,6,13-trihydroxy-8,12-bis(hydroxymethyl)-4,12,15-trimethyltetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dien-5-one
|
364.40
|
-0.5
|
5
|
6
|
118.22
|
2
|
|
|
[(1R,2S,6S,7R,8S,9R,11S,13S,14S,15R,16S,17R)-2,11,15,16-tetrahydroxy-9,13,17-trimethyl-4,12-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadecan-7-yl] (E)-2-methylbut-2-enoate
|
494.50
|
-0.5
|
4
|
10
|
159.82
|
3
|
|
|
[(1R,2R,3R,6S,7R,8S,9R,11S,13S,14S,15R,16S,17R)-2,3,11,15,16-pentahydroxy-9,13,17-trimethyl-4,12-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadecan-7-yl] (E)-2-methylbut-2-enoate
|
510.50
|
-1
|
5
|
11
|
180.05
|
3
|
|
|
(1R,2S,3R,7S,9R,14R,16R,17R)-3,16-dihydroxy-14-[(2S,3R)-3-(hydroxymethyl)-5-oxooxolan-2-yl]-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-5,12-diene-4,11-dione
|
460.50
|
0.5
|
3
|
8
|
130.36
|
2
|
|
|
[(1S,2S,4S,7R,9R,13S,14R,16S,17S)-4-benzoyloxy-15-methoxy-2,14,17-trimethyl-3,11-dioxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadecan-16-yl] 1,3-benzodioxole-5-carboxylate
|
618.70
|
5.6
|
0
|
10
|
123.66
|
7
|
|
|
(1R,2S,3S,7S,9R,14R,16R,17R)-3,16-dihydroxy-14-[(2S,3R)-3-(hydroxymethyl)-5-oxooxolan-2-yl]-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-5,12-diene-4,11-dione
|
460.50
|
0.5
|
3
|
8
|
130.36
|
2
|
|
|
[(1S,4S,12S,13R,16R,17R)-17-hydroxy-12-methyl-8-oxapentacyclo[14.2.1.01,13.04,12.05,9]nonadeca-5(9),6,10-trien-17-yl]methyl hexadecanoate
|
552.80
|
11.3
|
1
|
4
|
59.67
|
17
|
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