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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3S)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
|
480.60
|
0.5
|
6
|
7
|
138.45
|
5
|
|
|
Camaldulin
|
482.70
|
7.7
|
0
|
4
|
52.6
|
2
|
|
|
3-hydroxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
490.40
|
0.7
|
5
|
12
|
177.51
|
5
|
|
|
(1R,2S,3R)-2-(3,5-dihydroxyphenyl)-1-[(S)-ethoxy-(4-hydroxyphenyl)methyl]-3-(4-hydroxyphenyl)-2,3-dihydro-1H-indene-4,6-diol
|
500.50
|
4.8
|
6
|
7
|
130.61
|
6
|
|
|
2,3-dihydro-3beta-methoxy withaferin A
|
502.60
|
3.4
|
2
|
7
|
105.59
|
4
|
|
|
(1S,7aS,11aS)-1-hydroxy-4-(hydroxymethyl)-8,8,11a-trimethyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,7,7a,9,10,11-hexahydro-1H-naphtho[1,2-e][2]benzofuran-3-one
|
508.60
|
1.8
|
6
|
10
|
166.14
|
4
|
|
|
3-(N-n-Octadecylcarbamoyloxy)-2-methoxypropyl-2-thiazolinium ethyl phosphate
|
592.80
|
8.2
|
1
|
8
|
148.08
|
28
|
|
|
quadrangularic acid H
|
516.70
|
5.1
|
4
|
7
|
132.13
|
7
|
|
|
(3S,4S,7S,10S)-4-[(2-hydroxy-4-methylpentanoyl)amino]-7-(2-methylpropyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),12,15-triene-10-carboxylic acid
|
519.60
|
3.8
|
5
|
7
|
154.06
|
8
|
|
|
(2R,3S,4S,5R,6R)-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-[(E,2R)-4-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]but-3-en-2-yl]oxyoxane-3,4-diol
|
520.60
|
-1.8
|
7
|
12
|
191.06
|
8
|
|
|
di-O-butylmangostin
|
522.70
|
9.4
|
1
|
6
|
78.13
|
13
|
|
|
2-[4-[5-(5,7-Dihydroxy-4-oxo-2,3-dihydrochromen-2-yl)-2-hydroxyphenoxy]phenyl]-5,7-dihydroxychromen-4-one
|
540.50
|
5
|
5
|
10
|
166.89
|
4
|
|
|
(2S,3R,4S,5S,6R)-2-[4-[(1S,2R)-1,3-dihydroxy-2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]propyl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
540.60
|
-0.2
|
7
|
12
|
187.76
|
13
|
|
|
Lactic Acid, L-
|
90.08
|
-0.7
|
2
|
3
|
57.53
|
1
|
|
|
[(1R,3R,4R,4aS,7S,8aS)-4-hydroxy-3,4a,8,8-tetramethyl-4-[2-(5-oxo-2H-furan-4-yl)ethyl]-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate
|
556.60
|
1.3
|
5
|
11
|
172.21
|
8
|
|
|
(1R,2S,5S,8S,9S,14R,15R,17R,18R,21S,24R,26S,27S)-14-chloro-5,15-dihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.118,27.01,5.02,24.08,17.09,14.021,26]nonacos-11-ene-4,10,22,29-tetrone
|
563.00
|
0.4
|
2
|
10
|
145.66
|
0
|
|
|
Gladiatoside C2
|
566.50
|
3.4
|
5
|
12
|
185.35
|
7
|
|
|
methyl (4S,5E,6S)-4-[2-[(2R)-2-(3,4-dihydroxyphenyl)-2-methoxyethoxy]-2-oxoethyl]-5-ethylidene-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
|
570.50
|
-1
|
6
|
14
|
210.9
|
12
|
|
|
(1S,3S,4S,6S,7S,8R,11S,12S,15R,16R)-4,6-diacetyloxy-7,12,16-trimethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylic acid
|
570.80
|
9
|
1
|
6
|
89.9
|
10
|
|
|
Taxumairol K
|
588.60
|
0.2
|
4
|
11
|
169.05
|
8
|
|
|
3-O-(E)-Coumaroylerythrodiol
|
588.90
|
9.9
|
2
|
4
|
66.76
|
5
|
|
|
[(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
588.90
|
10.8
|
1
|
4
|
55.76
|
10
|
|
|
9-[[(2S,4R)-9'-[(2R)-2,3-dihydroxy-3-methylbutoxy]-5,5-dimethylspiro[1,3-dioxolane-2,7'-furo[3,2-g]chromene]-4-yl]methoxy]furo[3,2-g]chromen-7-one
|
590.60
|
4.2
|
2
|
11
|
143.1
|
7
|
|
|
(1S,2S,17S,19R)-19-[(Z)-4,4-dimethoxy-3-methylbut-2-enyl]-12-hydroxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-enyl)-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaene-14,18-dione
|
590.70
|
6
|
1
|
8
|
100.52
|
7
|
|
|
Cryptophycin 43
|
590.70
|
6.1
|
3
|
7
|
131.03
|
7
|
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