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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(1R,2S,3Z,6S,7R,8R,9R,10R,12R,14R,15R,16S,18S,19S,20R)-18,20-diacetyloxy-6-(furan-3-yl)-19-hydroxy-3-(1-hydroxy-2-methylpropylidene)-16-(2-methoxy-2-oxoethyl)-7,12,15,17-tetramethyl-9-(2-methylpropanoyloxy)-4-oxo-5,11,13,21-tetraoxaheptacyclo[10.8.1.114,17.01,10.02,7.010,15.014,19]docosan-8-yl] 2-methylpropanoate
|
886.90
|
3.9
|
2
|
18
|
239.09
|
15
|
|
|
[(1R,2S,3Z,6S,7R,8R,9R,10R,12R,14R,15R,16S,17R,18S,19S,20S)-18,19,20-triacetyloxy-6-(furan-3-yl)-3-(1-hydroxy-2-methylpropylidene)-16-(2-methoxy-2-oxoethyl)-7,12,15,17-tetramethyl-9-(2-methylpropanoyloxy)-4-oxo-5,11,13,21-tetraoxaheptacyclo[10.8.1.114,17.01,10.02,7.010,15.014,19]docosan-8-yl] 2-methylpropanoate
|
929.00
|
4.5
|
1
|
19
|
245.16
|
17
|
|
|
[(1R,2S,3Z,6S,7R,8R,9R,10R,12R,14R,15R,16S,17R,18S,19S,20S)-18,19-diacetyloxy-6-(furan-3-yl)-3-(1-hydroxy-2-methylpropylidene)-16-(2-methoxy-2-oxoethyl)-7,12,15,17-tetramethyl-9,20-bis(2-methylpropanoyloxy)-4-oxo-5,11,13,21-tetraoxaheptacyclo[10.8.1.114,17.01,10.02,7.010,15.014,19]docosan-8-yl] 2-methylpropanoate
|
957.00
|
5.5
|
1
|
19
|
245.16
|
18
|
|
|
(2S,3S,6S,7S)-5-oxatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),8,10,12,14,16-hexaene-3,7,10,11,16,17-hexol
|
332.30
|
0.2
|
6
|
7
|
130.61
|
0
|
|
|
(3R,8R,16S,22R,24S)-10,22-dihydroxy-12,19-bis(2-hydroxypropan-2-yl)-4,4,8,25,25-pentamethyl-2,17-dioxaheptacyclo[16.13.0.03,8.03,16.09,14.021,31.024,29]hentriaconta-1(31),9,12,14,18,20,28-heptaen-11-one
|
644.80
|
6
|
4
|
7
|
116.45
|
2
|
|
|
Retrocalamin
|
462.50
|
1.1
|
2
|
9
|
135.8
|
5
|
|
|
methyl 3-[(1R,2S,5R,6R,7R,10S,11S,14S)-11-(furan-3-yl)-3-hydroxy-5-(2-hydroxypropan-2-yl)-2,6,10-trimethyl-4,13-dioxo-12,15-dioxatetracyclo[8.5.0.01,14.02,7]pentadecan-6-yl]-3-hydroxypropanoate
|
520.60
|
1.6
|
3
|
10
|
156.03
|
6
|
|
|
[(1S,2R,4R,6R,8S,9S,11R)-8,9-dihydroxy-4,9-dimethyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.04,6]tetradecan-2-yl] (Z)-2-methylbut-2-enoate
|
380.40
|
1.5
|
2
|
7
|
105.59
|
3
|
|
|
Argophyllin C
|
364.40
|
2.7
|
1
|
6
|
85.36
|
3
|
|
|
Artabsinolide A
|
280.32
|
-0.7
|
2
|
5
|
83.83
|
0
|
|
|
Artabsinolide B
|
280.32
|
-0.7
|
2
|
5
|
83.83
|
0
|
|
|
(1S,2R,3R,7S,9S,12S,17R,18R,19R)-22-(2-hydroxypropan-2-yl)-3,8,8,17,19-pentamethyl-23,24,25-trioxaheptacyclo[19.2.1.19,12.01,18.03,17.04,14.07,12]pentacos-4(14)-en-2-ol
|
486.70
|
4
|
2
|
5
|
68.15
|
1
|
|
|
(1S,6R,7R,8R,12R,14R,18S,20S)-10-(1,2-dihydroxy-2-methylpropyl)-6,8,14,19,19-pentamethyl-11,23-dioxahexacyclo[18.2.1.01,18.03,15.06,14.07,12]tricos-3(15)-en-13-one
|
486.70
|
3.9
|
2
|
5
|
75.99
|
2
|
|
|
(1E,5Z,11Z)-7-acetyloxy-5,11-dimethyl-8-prop-1-en-2-ylcyclotetradeca-1,5,11-triene-1-carboxylic acid
|
360.50
|
4.6
|
1
|
4
|
63.6
|
4
|
|
|
(2S)-6-(2-chloroethyl)-2,5,7-trimethyl-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3H-inden-1-one
|
428.90
|
1.4
|
4
|
7
|
116.45
|
6
|
|
|
Ipomeamaronolide
|
266.33
|
1.6
|
0
|
4
|
52.6
|
5
|
|
|
(1S,2R,5R,6R,7R,8R)-8-hydroxy-2,6,8-trimethyltricyclo[5.3.1.01,5]undecane-6-carboxylic acid
|
252.35
|
2.6
|
2
|
3
|
57.53
|
1
|
|
|
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,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]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
1105.30
|
0.3
|
14
|
23
|
374.13
|
13
|
|
|
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2R,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]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
1121.30
|
-0.9
|
15
|
24
|
394.36
|
14
|
|
|
(1S)-1,4-dimethyl-7-propan-2-yl-1,2,3,3a,6,8a-hexahydroazulene
|
204.35
|
4.3
|
0
|
0
|
0
|
1
|
|
|
H-Pro-Ala-Asn-Leu-Pro-Trp-Gly-Ser-Ser-Asn-Val-OH
|
1141.20
|
-6.1
|
16
|
17
|
473.97
|
31
|
|
|
H-Gly-Lys-Lys-Ile-Ala-Thr-Tyr-Gln-Glu-Arg-OH
|
1193.40
|
-9.4
|
19
|
20
|
562.51
|
42
|
|
|
H-Gly-His-Lys-Ile-Ala-Thr-Phe-Gln-Glu-Arg-OH
|
1186.30
|
-9
|
18
|
19
|
544.94
|
40
|
|
|
(2S,4Z)-4-(2-oxoethylidene)-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid
|
211.17
|
-0.3
|
3
|
6
|
103.7
|
3
|
|
|
(2R,3S,4R,6R)-6-[[(3S,8R,9S,10R,13R,14S,17S)-14-hydroxy-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-methyloxane-3,4-diol
|
464.60
|
2.8
|
4
|
6
|
99.38
|
3
|
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