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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
3-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
|
578.50
|
0.1
|
8
|
14
|
228.97
|
5
|
|
|
2-Methylbenzaldehyde
|
120.15
|
2.1
|
0
|
1
|
17.07
|
1
|
|
|
calyxin L
|
582.60
|
6
|
5
|
8
|
136.68
|
10
|
|
|
(2S,8R,10R)-10-[(2S)-2-hydroxy-4-(4-hydroxyphenyl)butyl]-2,8-bis(4-hydroxyphenyl)-5-methoxy-3,8,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-4-one
|
582.60
|
5.5
|
4
|
8
|
125.68
|
8
|
|
|
(1S,3S,5S,6R,7S,9S,11R)-9-benzoyl-11-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-hydroxy-4,4,8,8-tetramethyl-3-prop-1-en-2-yltetracyclo[7.3.1.17,11.01,6]tetradecane-10,12,13-trione
|
584.80
|
8.6
|
1
|
5
|
88.51
|
8
|
|
|
cis-Goniothalamicin
|
596.90
|
8.8
|
4
|
7
|
116.45
|
26
|
|
|
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(1R,3S)-10-hydroxy-9-methoxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromen-5-yl]oxy]oxan-2-yl]methoxy]oxane-3,4,5-triol
|
598.60
|
-1
|
8
|
14
|
217.22
|
7
|
|
|
(1R,3R,10S,15S,16R,18R,25S,30S)-10,14,14,25,29,29-hexamethyl-6,21-di(propan-2-yl)-2,17-dioxaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-4,6,8,19,21,23-hexaene-7,22-diol
|
600.90
|
10.9
|
2
|
4
|
58.92
|
2
|
|
|
[(3S,4R,5S)-5-[(2S,3R,4S,5S,6R)-2-(4-acetylphenoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl 4-hydroxy-3,5-dimethoxybenzoate
|
610.60
|
-0.5
|
6
|
15
|
220.13
|
12
|
|
|
Anmontanin B
|
610.90
|
6.7
|
4
|
8
|
133.52
|
26
|
|
|
Asiminecin
|
622.90
|
9.3
|
3
|
7
|
105.45
|
25
|
|
|
27-Hydroxybullatacin
|
638.90
|
8.2
|
4
|
8
|
125.68
|
25
|
|
|
Cryptophycin-18
|
639.20
|
7.1
|
2
|
7
|
120.03
|
8
|
|
|
(2S,3R,4S,5S,6R)-2-[(2S,3S,4R,6R)-6-[(1S)-1-[(1S,3R,8S,9S,10R,13S,14S,17R)-1,3-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-3,4-dihydroxy-3,4-dimethyloxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
640.80
|
1.7
|
8
|
11
|
189.53
|
5
|
|
|
Cryptophycin 49
|
641.10
|
5.7
|
2
|
8
|
132.56
|
8
|
|
|
(E)-1-[3-[(1S,5S,6R)-6-[2,4-dihydroxy-3-(3-methylbut-2-enyl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2,4-dihydroxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
|
662.70
|
8.2
|
7
|
9
|
175.75
|
9
|
|
|
[(1S,5R,6R,13R,21S)-6,9,17,19-tetrahydroxy-5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaen-21-yl] 4-hydroxybenzoate
|
664.60
|
5
|
7
|
12
|
195.6
|
5
|
|
|
[(2S,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] (1S,2R,3S,4S,5R,9S,10S,13S,14S)-2,3,13-trihydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
|
692.70
|
-1.9
|
11
|
16
|
276.52
|
8
|
|
|
Card-20(22)-enolide, 3-[(2,6-dideoxy-4-O-I(2)-D-glucopyranosyl-I(2)-D-ribo-hexopyranosyl)oxy]-11,14,19-trihydroxy-, (3I(2),5I(2),11I+/-)-
|
698.80
|
-1.5
|
8
|
14
|
225.06
|
7
|
|
|
2,3-Dimethyl-3-hexanol
|
130.23
|
2.4
|
1
|
1
|
20.23
|
3
|
|
|
(2R)-N-[(E,2S,3S,4R)-3,4-dihydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-8-en-2-yl]-2-hydroxyhexadecanamide
|
732.00
|
9
|
8
|
10
|
189.17
|
33
|
|
|
Luteoside C
|
770.70
|
-1.4
|
10
|
19
|
293.21
|
15
|
|
|
1-Tetralone
|
146.19
|
2
|
0
|
1
|
17.07
|
0
|
|
|
Esculentoside C
|
811.00
|
1.8
|
8
|
15
|
242.13
|
9
|
|
|
[(2R,3R,4S,5S)-5-[(2R,3R,4S,5S,6R)-3-acetyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxy-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-5-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxolan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
822.80
|
2.5
|
7
|
18
|
274.5
|
19
|
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