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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
rollidecin D
|
606.90
|
10.9
|
2
|
6
|
85.22
|
25
|
|
|
(14S)-6,20,25-trimethoxy-15,30-dimethyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-3(36),4,6,9(35),10,12(34),18,20,22(33),24,26,31-dodecaen-21-ol
|
608.70
|
6.3
|
1
|
8
|
72.86
|
3
|
|
|
Segetalin H
|
610.70
|
-0.5
|
9
|
8
|
250.36
|
9
|
|
|
Annohexocin
|
628.90
|
6.3
|
6
|
9
|
156.91
|
26
|
|
|
16alpha-Acetoxyasclepin
|
632.70
|
1.1
|
2
|
12
|
164.12
|
6
|
|
|
7-O-deacetylorthosiphol O
|
634.70
|
4.7
|
3
|
10
|
156.66
|
9
|
|
|
Orthosiphol K
|
634.70
|
4.7
|
3
|
10
|
156.66
|
9
|
|
|
Cimiside A
|
636.80
|
2.4
|
6
|
10
|
158.3
|
3
|
|
|
Rollimusin
|
638.90
|
7.6
|
4
|
8
|
125.68
|
25
|
|
|
Lugrandoside
|
640.60
|
-1
|
10
|
16
|
265.52
|
12
|
|
|
Taxinine B
|
664.70
|
4.1
|
0
|
11
|
148.57
|
12
|
|
|
(2R,3R,4R,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-2,3-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
|
664.80
|
4
|
7
|
11
|
194.21
|
5
|
|
|
(6aS)-8-[4-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]-1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
|
666.80
|
6.7
|
0
|
9
|
71.09
|
10
|
|
|
Tenuifoliside B
|
668.60
|
-0.9
|
8
|
17
|
260.59
|
14
|
|
|
[(2R,4R,4aS,4bS,5R,6R,8aR,10R,10aR)-6,10-diacetyloxy-5-benzoyloxy-2-ethenyl-10a-hydroxy-2,4b,8,8-tetramethyl-1,7-dioxo-3,4,4a,5,6,8a,9,10-octahydrophenanthren-4-yl] benzoate
|
674.70
|
5.4
|
1
|
11
|
159.57
|
11
|
|
|
3-[3,4-Dihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carb
|
680.70
|
-2.1
|
7
|
14
|
221.9
|
7
|
|
|
Neoorthosiphol A
|
692.70
|
4.3
|
3
|
12
|
182.96
|
11
|
|
|
Dicerandrol B
|
708.70
|
2.2
|
5
|
15
|
232.65
|
9
|
|
|
[2-methyl-1-[(4Z)-5-oxo-4-[2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethylidene]oxolan-2-yl]prop-2-enyl] (E)-3-(4-acetyloxyphenyl)prop-2-enoate
|
716.70
|
3
|
0
|
16
|
202.56
|
20
|
|
|
Jatrophane 2
|
758.80
|
3.7
|
1
|
15
|
204.33
|
15
|
|
|
(3beta,5beta,8xi,9xi,16beta)-16-(Acetyloxy)-3,14-dihydroxycard-20(22)-enolide
|
432.50
|
1.9
|
2
|
6
|
93.06
|
3
|
|
|
[(10R,11R,12R,13S,15R)-3,4,5,12,21,22,23-heptahydroxy-8,18-dioxo-13-(3,4,5-trihydroxybenzoyl)oxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-11-yl] 3,4,5-trihydroxybenzoate
|
786.60
|
1.2
|
13
|
22
|
377.42
|
6
|
|
|
Mallotinic acid
|
802.60
|
0.4
|
14
|
23
|
397.65
|
6
|
|
|
L-Tyrosine, L-valyl-L-alanyl-L-tryptophyl-L-tryptophyl-L-methionyl-
|
855.00
|
1.6
|
10
|
10
|
285.93
|
21
|
|
|
(11S)-11-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxyhexadecanoic acid
|
889.00
|
-0.2
|
12
|
21
|
333.67
|
24
|
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