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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Koraiol
|
222.37
|
3.9
|
1
|
1
|
20.23
|
0
|
|
|
8-(Hydroxymethyl)-13-methoxytricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,8,12,14-heptaene-4,5-diol
|
284.31
|
2.3
|
3
|
4
|
69.92
|
2
|
|
|
4,7,7-Trimethylbicyclo[4.1.0]hept-3-en-2-one
|
150.22
|
1.7
|
0
|
1
|
17.07
|
0
|
|
|
Pterosin H
|
250.76
|
4.2
|
0
|
1
|
17.07
|
2
|
|
|
Pterosin B benzoate
|
322.40
|
4.8
|
0
|
3
|
43.37
|
5
|
|
|
(1R,16R,19S,21R)-13,16,20,20-tetramethyl-15-oxa-4-azahexacyclo[14.4.1.02,14.03,11.05,10.019,21]henicosa-2(14),3(11),5,7,9,12-hexaene
|
331.40
|
5.8
|
1
|
1
|
25.02
|
0
|
|
|
(1S,2R,7R,14S)-14-hydroxy-12-oxa-6-azatetracyclo[5.5.2.01,9.02,6]tetradec-9-en-11-one
|
221.25
|
-0.2
|
1
|
4
|
49.77
|
0
|
|
|
(1R)-1-(6-methoxyquinolin-4-yl)ethanol
|
203.24
|
1.7
|
1
|
3
|
42.35
|
2
|
|
|
Phosphonatooxidanium
|
96.99
|
-2.3
|
1
|
3
|
95.9
|
0
|
|
|
3-methoxy-2-methyl-6-(11-oxododecyl)-1H-pyridin-4-one
|
321.50
|
4.6
|
1
|
4
|
59.16
|
12
|
|
|
3-[[6-[4,5-dihydroxy-6-(hydroxymethyl)-2-[[12-hydroxy-4,4,8,10,14-pentamethyl-17-[6-methyl-2-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid
|
1195.30
|
0
|
15
|
26
|
420.66
|
20
|
|
|
Ethyl 2,3-dimethoxybenzoate
|
210.23
|
2.1
|
0
|
4
|
44.76
|
5
|
|
|
3-[4-Hydroxy-3-(4-hydroxy-3-methylbut-2-enyl)-5-(3-methylbut-2-enyl)phenyl]prop-2-enoic acid
|
316.40
|
4.1
|
3
|
4
|
77.76
|
7
|
|
|
Homodolicholide
|
492.70
|
4.9
|
4
|
6
|
107.22
|
5
|
|
|
28-Homodolicholide
|
492.70
|
4.9
|
4
|
6
|
107.22
|
5
|
|
|
[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 11-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
813.00
|
1.9
|
10
|
15
|
256.29
|
8
|
|
|
Lucyoside B
|
813.00
|
1.9
|
10
|
15
|
256.29
|
8
|
|
|
[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9S,10R,11R,12aR,14bS)-9-formyl-11-hydroxy-2,2,6a,6b,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
811.00
|
1.8
|
9
|
15
|
253.13
|
8
|
|
|
[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
797.00
|
2.9
|
9
|
14
|
236.06
|
8
|
|
|
[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
797.00
|
2.9
|
9
|
14
|
236.06
|
8
|
|
|
[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9S,10S,12aR,14bS)-9-formyl-2,2,6a,6b,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
795.00
|
2.7
|
8
|
14
|
232.9
|
8
|
|
|
[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-11-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
797.00
|
3.1
|
9
|
14
|
236.06
|
7
|
|
|
[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
781.00
|
4.1
|
8
|
13
|
215.83
|
7
|
|
|
Hederagenin base + O-Hex
|
634.80
|
4.7
|
6
|
9
|
156.91
|
5
|
|
|
hederagenin-3-O-beta-D-glucopyranoside
|
634.80
|
4.7
|
6
|
9
|
156.91
|
5
|
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