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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
corchorusoside C
|
682.80
|
-0.8
|
7
|
13
|
204.83
|
6
|
|
|
[(2S,3R,4R,5R,6S)-5-acetyloxy-4-hydroxy-6-[[(1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl]oxy]-2-methyloxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
696.60
|
-1.4
|
7
|
17
|
252.89
|
12
|
|
|
[(2S,3S,4R,5R,6S)-4,5-diacetyloxy-6-[[(1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl]oxy]-2-methyloxan-3-yl] (Z)-3-(4-methoxyphenyl)prop-2-enoate
|
752.70
|
-0.5
|
5
|
18
|
247.96
|
15
|
|
|
Kaempferol 3-gentiobioside-7-rhamnoside
|
756.70
|
-2.7
|
12
|
20
|
328.35
|
9
|
|
|
Nostocyclopeptide A1
|
756.90
|
1
|
8
|
10
|
261.72
|
10
|
|
|
(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-hydroxy-6-[[(3S,8R,9S,10R,13R,14S,17S)-14-hydroxy-10,13-dimethyl-17-[(1R)-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-methoxy-2-methyloxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
818.90
|
-0.8
|
10
|
17
|
266.91
|
10
|
|
|
3-O-[alpha-L-ramnopyranosyl(1 to 2)]-O-[alpha-L-ramnopyranosyl(1 to 4)]-O-beta-D-galactopyranosid(1)]-(25S)-spirost-5-ene-3beta-ol
|
869.00
|
1.3
|
8
|
16
|
235.68
|
7
|
|
|
Amurenoside A
|
932.80
|
-0.1
|
12
|
23
|
363.88
|
13
|
|
|
1-[(3S,8S,9R,10R,12R,13S,14S,15R,17S)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5R,6R)-5-[(2S,4R,5R,6R)-5-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-8,12,14,15-tetrahydroxy-10,13-dimethyl-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
|
959.10
|
-0.4
|
7
|
19
|
260.21
|
12
|
|
|
Anguivioside B
|
971.10
|
1.1
|
9
|
20
|
299.28
|
11
|
|
|
[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (1R,2R,5S,8R,9R,10R,12R,16R,17S,18S,21S)-16-hydroxy-18-(3-hydroxyprop-1-en-2-yl)-1,2,17-trimethyl-14-oxo-8-prop-1-en-2-yl-13-oxapentacyclo[10.8.1.02,10.05,9.017,21]henicosane-5-carboxylate
|
971.10
|
-0.1
|
11
|
20
|
321.28
|
12
|
|
|
[(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxochromen-3-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
|
976.90
|
-0.5
|
11
|
24
|
362.11
|
16
|
|
|
[(2S,3R,4R,5R,6S)-2-[3-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl] 2-methoxybenzoate
|
1020.90
|
-1.1
|
12
|
25
|
382.34
|
14
|
|
|
[(2S,3R,4R,5S,6S)-2-[3-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl] 2-methoxybenzoate
|
1036.90
|
-1.6
|
13
|
26
|
402.57
|
15
|
|
|
[(3S,8R,9S,10R,11S,12S,13S,14S,17S)-12-acetyloxy-3-[(2R,4S,5R,6R)-5-[(2S,4S,5R,6R)-5-[(2S,4R,5R,6R)-5-[(2S,3R,4R,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-11-yl] acetate
|
1043.20
|
2.6
|
4
|
20
|
244.28
|
17
|
|
|
[(3S,8S,9S,10R,11S,12S,13S,14R,17S)-12-acetyloxy-3-[(2R,4S,5R,6R)-5-[(2S,4S,5R,6R)-5-[(2S,4R,5R,6R)-5-[(2S,3R,4R,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-8,14-dihydroxy-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-11-yl] acetate
|
1059.20
|
1.6
|
5
|
21
|
264.51
|
17
|
|
|
Pentakis-(3,4,5-trimethoxybenzoyl)-beta-D-Glucose
|
1151.10
|
8.5
|
0
|
26
|
279.18
|
31
|
|
|
(3I(2),4I+/-)-28-[(O-6-Deoxy-I+/--L-mannopyranosyl-(1a3)-O-[O-I(2)-D-xylopyranosyl-(1a4)-6-deoxy-I+/--L-mannopyranosyl-(1a2)]-6-deoxy-I(2)-D-galactopyranosyl)oxy]-23,28-dioxoolean-12-en-3-yl 2-O-I(2)-D-galactopyranosyl-I(2)-D-glucopyranosiduronic acid
|
1379.50
|
-1.8
|
16
|
31
|
485.65
|
16
|
|
|
Butene, (S)-1-cyano-2-hydroxy-3-
|
97.12
|
-0.1
|
1
|
2
|
44.02
|
2
|
|
|
Malic acid 4-Me ester
|
148.11
|
-0.9
|
2
|
5
|
83.83
|
4
|
|
|
3-Methyl-1-(5-methylfuran-3-yl)butan-1-one
|
166.22
|
2.3
|
0
|
2
|
30.21
|
3
|
|
|
N-[2-(methylamino)ethyl]-N-(1H-pyrrol-3-yl)formamide
|
167.21
|
-0.3
|
2
|
2
|
48.13
|
4
|
|
|
(2S)-2-Ethylhexyl acetate
|
172.26
|
3.2
|
0
|
2
|
26.3
|
7
|
|
|
Verimol J
|
182.22
|
1.7
|
2
|
3
|
49.69
|
3
|
|
|
1-(2-Methoxyphenyl)hexa-2,4-diyn-1-one
|
198.22
|
3.2
|
0
|
2
|
26.3
|
3
|
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