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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1S,2R,7R,9S,10R,12S)-2-hydroxy-7-[(1S,2R,7R,9S,10R,12S)-2-hydroxy-4,9-dimethyl-13-methylidene-5-oxo-6-oxatetracyclo[7.4.0.03,7.010,12]tridec-3-en-7-yl]-4,9-dimethyl-13-methylidene-6-oxatetracyclo[7.4.0.03,7.010,12]tridec-3-en-5-one
|
490.60
|
1.5
|
2
|
6
|
93.06
|
1
|
|
|
3-[(2R,3R)-5-hydroxy-2,3-dimethyl-8-(3-methylbut-2-enyl)-8-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-4,7-dioxo-2,3-dihydrochromen-6-yl]hexanoic acid
|
526.70
|
7.7
|
2
|
6
|
100.9
|
12
|
|
|
Munronin B
|
528.50
|
1
|
1
|
10
|
137.96
|
4
|
|
|
1-O-[(2S,3S,6R)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-3-yl] 4-O-methyl (2R)-2-[(4R)-4,5-dihydroxy-4-methylpentyl]-2-hydroxybutanedioate
|
561.60
|
-0.2
|
3
|
11
|
144.22
|
12
|
|
|
Isogarcinol
|
602.80
|
8.9
|
2
|
6
|
100.9
|
8
|
|
|
[(1S,18R,19S,21R,22S)-6,7,12,13,22-pentahydroxy-21-(hydroxymethyl)-3,16-dioxo-2,17,20,23-tetraoxapentacyclo[16.3.1.18,11.04,9.010,15]tricosa-4,6,8,10,12,14-hexaen-19-yl] 3,4,5-trihydroxybenzoate
|
616.40
|
0.9
|
9
|
17
|
283.34
|
4
|
|
|
3beta,11alpha-Dihydroxy-12-ursen-3-yl palmitate
|
681.10
|
15.8
|
1
|
3
|
46.53
|
16
|
|
|
(E)-N-[3,4,12-trihydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadecan-2-yl]hexadec-9-enamide
|
732.00
|
7.8
|
8
|
10
|
189.17
|
33
|
|
|
Genistein 7-O-beta-D-glucopyranoside-4'-O-[alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranoside]
|
740.70
|
-2
|
11
|
19
|
308.12
|
9
|
|
|
Oblonganoside D
|
748.90
|
3.4
|
7
|
12
|
195.6
|
6
|
|
|
2-[2-[2-[2,4-dihydroxy-6-methyl-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]-2-oxoethyl]-6-hydroxy-4-methylphenyl]-7-hydroxy-5-methyl-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
|
770.70
|
-0.2
|
12
|
17
|
308.5
|
8
|
|
|
Ydcukuffvmoskz-jniptgctsa-
|
843.00
|
2.7
|
9
|
15
|
245.29
|
12
|
|
|
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(4S,7S,8S,11S)-6-(methylsulfanylcarbonyloxymethyl)-2-oxo-3,9-dioxatricyclo[5.3.1.04,11]undeca-1(10),5-dien-8-yl]oxy]oxan-3-yl] (1S,4aS,5S,7aS)-5-hydroxy-7-(methylsulfanylcarbonyloxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
|
892.90
|
-3
|
8
|
24
|
373.02
|
17
|
|
|
(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-16-[(2R,3R,4R,5R,6R)-5-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-10-one
|
1209.30
|
-4.4
|
15
|
28
|
431.28
|
14
|
|
|
3-Nitrophenol
|
139.11
|
2
|
1
|
3
|
63.37
|
0
|
|
|
[(3S,8S,9S,10R,13S,14S,16S,17R)-17-acetyl-3-[(2R,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl] (4S)-4-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoate
|
1225.30
|
-3.1
|
15
|
28
|
439.12
|
20
|
|
|
(R)-(-)-2-Hexen-4-olid
|
112.13
|
1.1
|
0
|
2
|
26.3
|
1
|
|
|
(2R,3S)-3-hydroxypyrrolidine-2-carboxylic acid
|
131.13
|
-3.2
|
3
|
4
|
69.56
|
1
|
|
|
methyl (2R,3R)-3-hydroxy-2-methylbutanoate
|
132.16
|
0.4
|
1
|
3
|
46.53
|
3
|
|
|
(Z)-N-(4-Methoxystyryl)formamide
|
177.20
|
1.9
|
1
|
2
|
38.33
|
3
|
|
|
1,3,5-Benzenetricarboxylic acid
|
210.14
|
0.5
|
3
|
6
|
111.9
|
3
|
|
|
Occidentalol
|
220.35
|
3.4
|
1
|
1
|
20.23
|
1
|
|
|
Garjasmin
|
224.21
|
-0.2
|
1
|
5
|
64.99
|
2
|
|
|
e-3-Methylsulfinyl-2-propenyl s-butyl disulfide
|
224.40
|
1.7
|
0
|
4
|
86.88
|
6
|
|
|
2,4-Dihydroxy-7,8-dimethoxy-2H-1,4-benzoxazin-3(4H)-one
|
241.20
|
0
|
2
|
6
|
88.46
|
2
|
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