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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
dihydrophaseic acid 4-O-beta-D-glucoside
|
444.50
|
-0.7
|
6
|
10
|
166.14
|
6
|
|
|
Camellianoside
|
742.60
|
-2.8
|
12
|
20
|
328.35
|
8
|
|
|
(1S,2S,4S,6R,7S,8R,9S,12S,13R,15R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-15,16-diol
|
430.60
|
4.7
|
2
|
4
|
58.92
|
0
|
|
|
(1R,2R,9R)-8,15-dioxa-7-azatetracyclo[7.6.1.01,12.02,7]hexadeca-10,12-dien-14-one
|
233.26
|
1.2
|
0
|
4
|
38.77
|
0
|
|
|
Elephantorrhizol
|
322.27
|
-0.4
|
7
|
8
|
150.84
|
1
|
|
|
2-(Methylthio)benzothiazole
|
181.30
|
3.1
|
0
|
3
|
66.43
|
1
|
|
|
S-1-Propenyl-L-cysteine
|
161.22
|
-2
|
2
|
4
|
88.62
|
4
|
|
|
Validol
|
240.38
|
4.9
|
0
|
2
|
26.3
|
5
|
|
|
Mitorubrinol
|
398.40
|
2
|
3
|
8
|
130.36
|
5
|
|
|
(2S)-4-[(2R)-9-[(2S,5S)-5-[(1S,4S)-1,4-dihydroxy-4-[(2S,5R)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]butyl]oxolan-2-yl]-2-hydroxynonyl]-2-methyl-2H-furan-5-one
|
638.90
|
8.2
|
4
|
8
|
125.68
|
25
|
|
|
Torreyol
|
222.37
|
3.3
|
1
|
1
|
20.23
|
1
|
|
|
Ethyl tridecanoate
|
242.40
|
6.2
|
0
|
2
|
26.3
|
13
|
|
|
2-(3,4-Dihydroxyphenyl-d3)ethylamine
|
156.20
|
-1
|
3
|
3
|
66.48
|
2
|
|
|
Acanthopanaxoside B
|
1263.40
|
-0.7
|
14
|
27
|
418.89
|
16
|
|
|
(2R,4aR,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylic acid
|
764.90
|
3.2
|
7
|
13
|
212.67
|
6
|
|
|
Mooloolabene A
|
354.50
|
5.3
|
0
|
2
|
34.14
|
2
|
|
|
Mooloolabene C
|
412.60
|
4.5
|
0
|
4
|
60.44
|
5
|
|
|
Mooloolabene D
|
456.60
|
5.2
|
0
|
5
|
61.83
|
4
|
|
|
Mooloolaldehyde
|
428.60
|
6.3
|
0
|
4
|
52.6
|
3
|
|
|
Mooloolabene B
|
354.50
|
5.3
|
0
|
2
|
34.14
|
2
|
|
|
Mooloolabene E
|
398.60
|
5.8
|
0
|
3
|
35.53
|
2
|
|
|
(2S,3S,4S,5R,6R)-6-[[(1S,2S,4S,5R,6S,9S,11R,14R,15S,18S,23R)-6,10,10,14,15,21,21-heptamethyl-25-oxo-3,24-dioxaheptacyclo[16.5.2.01,15.02,4.05,14.06,11.018,23]pentacosan-9-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
|
646.80
|
5.1
|
4
|
10
|
155.28
|
3
|
|
|
(2S,3S,4S,5R,6R)-6-[[(1S,2R,4S,5R,6S,9S,11R,14R,18S,23S)-1,6,10,10,14,21,21-heptamethyl-18-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-3-oxahexacyclo[13.8.0.02,4.05,14.06,11.018,23]tricos-15-en-9-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
|
808.90
|
3.3
|
8
|
15
|
245.43
|
7
|
|
|
Kalanchoside A
|
562.60
|
-0.1
|
5
|
10
|
166.89
|
4
|
|
|
Kalanchoside B
|
562.60
|
-0.1
|
5
|
10
|
166.89
|
4
|
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