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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl 4-hydroxy-3-methoxybenzoate
|
330.29
|
-1.3
|
5
|
9
|
145.91
|
5
|
|
|
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[2-[(1S)-4-(hydroxymethyl)cyclohex-3-en-1-yl]propan-2-yloxy]oxane-3,4,5-triol
|
332.39
|
-1
|
5
|
7
|
119.61
|
5
|
|
|
Kalkipyrone A
|
332.40
|
4.3
|
1
|
4
|
59.67
|
7
|
|
|
[(2S,4R,5R,6S,7R)-7-hydroxy-6,10-dimethyl-8-oxo-2-prop-1-en-2-ylspiro[4.5]dec-9-en-4-yl] 3-methylbut-2-enoate
|
332.40
|
3.9
|
1
|
4
|
63.6
|
4
|
|
|
[(2S)-3-hydroxy-1-(4-methoxy-1-methyl-2-oxoquinolin-3-yl)-3-methylbutan-2-yl] acetate
|
333.40
|
1.4
|
1
|
5
|
77.76
|
6
|
|
|
Methyl 2-oxo-10,21-diazapentacyclo[12.7.0.03,11.04,9.015,20]henicosa-1(14),3(11),4,6,8,12,15,17,19-nonaene-12-carboxylate
|
342.30
|
4
|
2
|
3
|
74.95
|
2
|
|
|
2-Methoxygliricidol
|
344.30
|
1.7
|
2
|
7
|
94.45
|
2
|
|
|
(1R,2S)-2-Hydroxy-2-(4-methoxyphenyl)-1-methylethyl I(2)-D-glucopyranoside
|
344.36
|
-0.8
|
5
|
8
|
128.84
|
6
|
|
|
Glycyrrhizaisoflavone C
|
368.40
|
3.4
|
2
|
6
|
89.13
|
2
|
|
|
Micromarin B
|
376.40
|
2.2
|
2
|
7
|
106.2
|
9
|
|
|
2-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,3,5-trihydroxy-10-methylacridin-9-one
|
393.50
|
6.4
|
3
|
5
|
82.69
|
5
|
|
|
Isoalvaxanthone
|
396.40
|
6
|
4
|
6
|
111.13
|
4
|
|
|
(2R,3R,4S,5S,6R)-2-[[(1S,4S,4aS,8aS)-4-hydroxy-4,8a-dimethyl-6-propan-2-ylidene-2,3,4a,5,7,8-hexahydro-1H-naphthalen-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
400.50
|
1
|
5
|
7
|
119.61
|
3
|
|
|
Pumilaside C
|
400.50
|
0.4
|
5
|
7
|
119.61
|
4
|
|
|
(E)-2,3-bis(7-methoxy-2-oxochromen-8-yl)prop-2-enal
|
404.40
|
3.4
|
0
|
7
|
95.95
|
5
|
|
|
4beta-Hydroxyverazine
|
413.60
|
4.8
|
2
|
3
|
52.82
|
2
|
|
|
Caesaldekarine
|
414.50
|
4.1
|
1
|
6
|
85.97
|
4
|
|
|
(24S)-4-epicyclomusalenone
|
424.70
|
9.7
|
0
|
1
|
17.07
|
5
|
|
|
Stypoquinonic acid
|
426.60
|
5.7
|
1
|
4
|
71.44
|
5
|
|
|
(1S,2S,5R,6R,9S,10R,13R,15S)-5,9,14,14-tetramethyl-6-[(Z)-6-methylhept-2-en-2-yl]-16-oxapentacyclo[13.2.2.01,13.02,10.05,9]nonadecane
|
426.70
|
9.9
|
0
|
1
|
9.23
|
4
|
|
|
(3R,3aR,5aR,5bS,9R,11aS,11bR,13aS,13bR)-3a,5a,8,8,11b,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,9,10,11,11a,12,13,13b-tetradecahydrocyclopenta[a]chrysen-9-ol
|
426.70
|
9
|
1
|
1
|
20.23
|
1
|
|
|
[(3R,3aS,5aR,5bR,7aS,11aS,13aS,13bS)-5a,8,8,11a,13a-pentamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,7a,9,10,11,13,13b-tetradecahydrocyclopenta[a]chrysen-3a-yl]methanol
|
426.70
|
9.1
|
1
|
1
|
20.23
|
2
|
|
|
Nardostachysin
|
430.50
|
2.8
|
2
|
6
|
93.06
|
5
|
|
|
Sinensol B
|
430.50
|
6.9
|
2
|
4
|
58.92
|
6
|
|
|
(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-17-[(2S,3R,5S)-3-hydroxy-5,6-dimethylheptan-2-yl]-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one
|
430.70
|
6.4
|
2
|
3
|
57.53
|
5
|
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