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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1S,12S,13S,16R,18S)-5-hydroxy-16,18-dimethyl-2,9-dioxo-17-oxapentacyclo[11.4.1.01,10.03,8.012,16]octadeca-3(8),4,6,10-tetraene-18-carbaldehyde
|
338.40
|
1.6
|
1
|
5
|
80.67
|
1
|
|
|
6alpha-Hydroxycleroda-3,13-dien-16,15-olid-18-oic acid
|
348.40
|
3.5
|
2
|
5
|
83.83
|
4
|
|
|
ludongnin F
|
362.50
|
3.4
|
0
|
5
|
61.83
|
1
|
|
|
ludongnin H
|
362.50
|
3.4
|
0
|
5
|
61.83
|
1
|
|
|
methyl (1S,12S,13R,14S,15E)-15-ethylidene-13-(hydroxymethyl)-17-oxido-3-aza-17-azoniapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraene-13-carboxylate
|
368.40
|
1
|
2
|
4
|
85.38
|
3
|
|
|
rhodomolin B
|
410.50
|
-0.1
|
5
|
7
|
127.45
|
2
|
|
|
Chafuroside A
|
414.40
|
1
|
5
|
9
|
149.82
|
2
|
|
|
Tetrahydrothiophene
|
88.17
|
1.4
|
0
|
1
|
25.3
|
0
|
|
|
Klyxumine B
|
440.60
|
2.7
|
2
|
7
|
102.29
|
5
|
|
|
2,4-Dimethyl-3-pentanone
|
114.19
|
1.9
|
0
|
1
|
17.07
|
2
|
|
|
2-(3,4-dihydroxyphenyl)-5,7-dimethoxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
|
476.40
|
0
|
6
|
11
|
179.28
|
5
|
|
|
2-aminoethyl Acetate
|
103.12
|
-0.8
|
1
|
3
|
52.32
|
3
|
|
|
(1S,2S,5R,6S)-2-(1,3-benzodioxol-5-yl)-6-[(E)-hept-1-enyl]-N-(2-methylpropyl)-5-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide
|
508.70
|
6.5
|
1
|
4
|
67.87
|
10
|
|
|
Lanaroflavone
|
538.50
|
5.3
|
5
|
10
|
170.8
|
4
|
|
|
Theograndin II
|
558.40
|
0
|
8
|
16
|
279.33
|
6
|
|
|
Catechin-(3'-O-3''')-afzelechin
|
562.50
|
2.1
|
8
|
11
|
189.53
|
4
|
|
|
Albafuran C
|
580.60
|
6
|
7
|
9
|
171.82
|
5
|
|
|
Phenethyl decanoate
|
276.40
|
6.1
|
0
|
2
|
26.3
|
12
|
|
|
(1R,2S,4S,8R,9S,12S,13R)-7,9,13-trimethyl-6-[(3S)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-6,17-diene-10,16-dione
|
588.70
|
1.6
|
4
|
9
|
142.75
|
7
|
|
|
[(1S,3R,6R,7S,8S,9S,10S,11S,14S,16S)-6-acetyl-14-[(2R,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-8-hydroxy-7,11-dimethyl-2-oxapentacyclo[8.8.0.01,3.03,7.011,16]octadecan-9-yl] (E)-2-methylbut-2-enoate
|
750.90
|
2.5
|
3
|
13
|
171.97
|
10
|
|
|
(s)-2-Acetoxyundecane
|
214.34
|
5
|
0
|
2
|
26.3
|
10
|
|
|
Javanicoside E
|
770.80
|
-0.1
|
6
|
18
|
271.34
|
12
|
|
|
quercetin 3-O-alpha-(6'''-caffeoylglucosyl-beta-1,2-rhamnoside)
|
772.70
|
0.7
|
11
|
19
|
315.96
|
10
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8R,8aS,9S,12aS,14aR,14bR)-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]-4-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
|
1121.30
|
0.2
|
15
|
24
|
394.36
|
12
|
|
|
methyl (2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-9,10-bis[[(Z)-2-methylbut-2-enoyl]oxy]-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-carboxylate
|
1139.30
|
4
|
10
|
22
|
336.58
|
16
|
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