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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
CID 11442594
|
462.50
|
1.1
|
1
|
9
|
124.8
|
6
|
|
|
(5R-trans)-5,6-Dihydro-6-((2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)oxy)-5-vinyl-1H,3H-pyrano(3,4-c)pyran-1-one
|
524.50
|
0.5
|
0
|
13
|
159.19
|
12
|
|
|
(1R,2R,4aR,6aR,6aR,6bR,8aR,10S,12aR,14aR,14bR)-2,10-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,5,6,6a,7,8,8a,10,11,12,13,14,14a,14b-tetradecahydropicene-4a-carboxylic acid
|
472.70
|
6.7
|
3
|
4
|
77.76
|
1
|
|
|
Complanadine A
|
482.70
|
5
|
2
|
4
|
49.84
|
1
|
|
|
Methyl 3-acetoxy-3-dehydroxyursolate
|
512.80
|
8.2
|
0
|
4
|
52.6
|
4
|
|
|
[(3S,4R,5S)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[4-(2-hydroxyethyl)phenoxy]-6-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl 4-hydroxybenzoate
|
552.50
|
-0.6
|
7
|
13
|
204.83
|
11
|
|
|
5-hydroxy-2-(4-hydroxyphenyl)-3,7-bis[[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy]chromen-4-one
|
578.50
|
-0.1
|
8
|
14
|
228.97
|
5
|
|
|
[(1S,4R,5R,6S)-4-(1,3-benzodioxol-5-yl)-5-[(1E,3E)-4-(1,3-benzodioxol-5-yl)buta-1,3-dienyl]-6-(piperidine-1-carbonyl)cyclohex-2-en-1-yl]-piperidin-1-ylmethanone
|
596.70
|
5.8
|
0
|
6
|
77.54
|
6
|
|
|
(3S,4R,5S)-4-hydroxy-3-[(13S)-13-hydroxy-13-[(2S,5S)-5-[(2S,5S)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]-5-methyloxolan-2-one
|
624.90
|
10.4
|
3
|
7
|
105.45
|
25
|
|
|
[(2R,3R,4R,5S,6S)-3-acetyloxy-2-[[(2R,3S,4S,5R,6S)-6-[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-5-hydroxy-6-methyloxan-4-yl] acetate
|
678.60
|
0
|
7
|
17
|
261.34
|
10
|
|
|
methyl (1R,2S,3R,6R,8S,9S,13S,14S,15R,16S,17S)-15,16-dihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4,12-dioxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-10-ene-17-carboxylate
|
682.70
|
0
|
6
|
16
|
245.04
|
8
|
|
|
Javanicoside F
|
696.70
|
0.6
|
6
|
16
|
245.04
|
9
|
|
|
Sapinmusaponin A
|
785.00
|
3.5
|
9
|
13
|
218.99
|
9
|
|
|
(4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,2,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a,6a-dicarboxylic acid
|
795.00
|
3.3
|
8
|
14
|
232.9
|
7
|
|
|
Phyllostadimer A
|
810.80
|
3
|
6
|
16
|
213.68
|
13
|
|
|
(4S,5R,7R,8R,13R,16R,19R,22S)-7,22-dihydroxy-8-[(2S,4S,5R,6R)-5-[(2S,4S,5S,6R)-4-hydroxy-5-[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.04,13.05,10.019,22]docosa-1(21),10-dien-14-one
|
810.90
|
0.7
|
4
|
16
|
199.52
|
8
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-10-benzoyloxy-8,9-dihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylic acid
|
1065.20
|
2.4
|
12
|
21
|
341.51
|
12
|
|
|
3-Cyclohexen-1-ol,2-methylene-5-(1-methylethyl)-,(1S-trans)-(9CI)
|
152.23
|
2.1
|
1
|
1
|
20.23
|
1
|
|
|
1,3-Difluoroazulene
|
164.15
|
3.1
|
0
|
2
|
0
|
0
|
|
|
2-[(E)-non-1-en-3,5,7-triynyl]furan
|
180.20
|
3.2
|
0
|
1
|
13.14
|
3
|
|
|
2,3-Dimethylhexane
|
114.23
|
4
|
0
|
0
|
0
|
3
|
|
|
Kuraramine
|
222.28
|
0
|
2
|
3
|
56.33
|
2
|
|
|
CID 11447401
|
222.37
|
4.5
|
1
|
1
|
20.23
|
0
|
|
|
4-[(1S)-1-phenylprop-2-enyl]benzene-1,3-diol
|
226.27
|
3.7
|
2
|
2
|
40.46
|
3
|
|
|
(E,4R,5R)-4,5-dihydroxy-N-(2-methylpropyl)oct-2-enamide
|
229.32
|
1.1
|
3
|
3
|
69.56
|
7
|
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