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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Mastigophorene A
|
466.70
|
9.2
|
4
|
4
|
80.92
|
3
|
|
|
O-Ethyl-4-[(2',3',4'-tri-O-acetyl-alpha-L-rhamnosyloxy)benzyl]carbamate
|
467.50
|
1.9
|
1
|
10
|
135.69
|
12
|
|
|
(1R,5R,8S,11R,14S,17R,18S,21S,24R)-21-hydroxy-5,8,11,14,17,24-hexamethyl-22-oxahexacyclo[19.2.1.01,18.04,17.05,14.08,13]tetracosane-11-carboxylic acid
|
472.70
|
7.2
|
2
|
4
|
66.76
|
1
|
|
|
(1S,3R,8R,11S,12S,14S,15R,16R)-14-Hydroxy-15-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one
|
472.70
|
5.4
|
2
|
4
|
66.76
|
2
|
|
|
9-methoxy-7-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-[1,3]dioxolo[4,5-g]chromen-8-one
|
474.40
|
0.8
|
4
|
11
|
157.28
|
5
|
|
|
(3S,4S,6aR,6bS,8aR,9R,11S,12aS,14aR,14bR)-4,11-bis(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,9-diol
|
474.70
|
5.5
|
4
|
4
|
80.92
|
2
|
|
|
7-O-methylgarcinone
|
478.60
|
8.2
|
3
|
6
|
100.13
|
7
|
|
|
3,5,7-trihydroxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-(2,4,5-trihydroxyphenyl)chromen-4-one
|
480.40
|
-0.7
|
10
|
13
|
241.74
|
3
|
|
|
6''-O-Acetylastragalin
|
490.40
|
0.7
|
6
|
12
|
196.35
|
6
|
|
|
Betaine aspartate
|
250.25
|
|
3
|
7
|
140.75
|
4
|
|
|
Orcinol
|
124.14
|
1.6
|
2
|
2
|
40.46
|
0
|
|
|
Caulophyllogenin
|
488.70
|
6.2
|
4
|
5
|
97.99
|
2
|
|
|
(3R,4R,5R)-5-[(2S,3R)-4-[(E)-2-carboxyethenyl]-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-3-carbonyl]oxy-3,4-dihydroxycyclohexene-1-carboxylic acid
|
514.40
|
0.6
|
7
|
12
|
211.28
|
7
|
|
|
(11R,12R,24S,25S)-12-hydroxy-18,19,20-trimethoxy-11,12,24,25-tetramethyl-4,6,9,14-tetraoxapentacyclo[13.7.3.03,7.08,22.016,21]pentacosa-1,3(7),8(22),16,18,20-hexaen-13-one
|
514.60
|
4.7
|
1
|
9
|
101.91
|
3
|
|
|
Segetalin G
|
518.60
|
0.3
|
7
|
7
|
191.75
|
7
|
|
|
Lycernuic acid C
|
522.70
|
4.5
|
6
|
7
|
138.45
|
2
|
|
|
[3,4-dihydroxy-2,5-bis(4-hydroxyphenyl)-6-[(Z)-3-[(2S,3S)-3-methyloxiran-2-yl]prop-2-enoyl]oxyphenyl] (Z)-3-[(2S,3S)-3-methyloxiran-2-yl]prop-2-enoate
|
546.50
|
4
|
4
|
10
|
158.58
|
10
|
|
|
[(5R,6R,8R,9S,10S,13R,14R,15S)-5-chloro-17-[(1S)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-6,14-dihydroxy-10,13-dimethyl-1-oxo-4,6,7,8,9,11,12,15-octahydrocyclopenta[a]phenanthren-15-yl] acetate
|
547.10
|
3.2
|
2
|
7
|
110.13
|
4
|
|
|
Casearborin C
|
554.60
|
4.9
|
2
|
9
|
128.59
|
10
|
|
|
Phorone
|
138.21
|
2.8
|
0
|
1
|
17.07
|
2
|
|
|
[5-(5-Hexanoyloxy-3,6,7-trimethoxy-4-oxochromen-2-yl)-2-methoxyphenyl] hexanoate
|
570.60
|
6.6
|
0
|
10
|
119.73
|
17
|
|
|
[(1S,4R,5R,6S)-4-(1,3-benzodioxol-5-yl)-5-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-(piperidine-1-carbonyl)cyclohex-2-en-1-yl]-piperidin-1-ylmethanone
|
570.70
|
5.2
|
0
|
6
|
77.54
|
5
|
|
|
1-Tetracontanol
|
579.10
|
20.3
|
1
|
1
|
20.23
|
38
|
|
|
4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2-O-beta-D-xylopyranosyl-beta-D-galactopyranosyl)oxy]-
|
580.50
|
-0.8
|
9
|
15
|
249.2
|
6
|
|
|
(-)-2|A-O-(|A-D-Glucopyranosyl)lyoniresinol
|
582.60
|
0.4
|
7
|
13
|
196.99
|
10
|
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