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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(3I(2),4I+/-,16I+/-,21I(2),22I+/-)-22-(Acetyloxy)-16,23,28-trihydroxy-21-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]olean-12-en-3-yl O-I(2)-D-galactopyranosyl-(1a2)-O-[O-I(2)-D-xylopyranosyl-(1a2)-I+/--L-arabinopyranosyl-(1a3)]-I(2)-D-glucopyranosiduronic acid
|
1233.30
|
-0.2
|
14
|
27
|
426.73
|
17
|
|
|
(4S,7aR,12bS,13S)-7,9-dimethoxy-3-methyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-13-ol
|
327.40
|
1.1
|
1
|
5
|
51.16
|
2
|
|
|
3-Hydroxybenzaldehyde
|
122.12
|
1.4
|
1
|
2
|
37.3
|
1
|
|
|
5-[(11S)-11-hydroxy-11-[(2S,5S)-5-[(1S)-1-hydroxytridecyl]oxolan-2-yl]-5-oxoundecyl]-3-(2-oxopropyl)oxolan-2-one
|
594.90
|
7.6
|
2
|
7
|
110.13
|
26
|
|
|
Parviflorin
|
594.90
|
8.6
|
3
|
7
|
105.45
|
23
|
|
|
(2S,3R)-2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2,3-dihydrochromen-4-one
|
440.50
|
5.2
|
5
|
7
|
127.45
|
6
|
|
|
1-(4-Hydroxy-3-methoxyphenyl)hexadecan-3-one
|
362.50
|
7.1
|
1
|
3
|
46.53
|
16
|
|
|
(2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-6-[(1R,2S,4S,5'R,6S,6'R,7S,8S,9S,12S,13R,16S)-6',8-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
901.00
|
-0.4
|
10
|
18
|
276.14
|
7
|
|
|
(2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-6-[(1R,2S,4S,5'R,6S,6'R,7S,8S,9S,12S,13R,16S)-8-hydroxy-6'-methoxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-2-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
915.10
|
0.1
|
9
|
18
|
265.14
|
8
|
|
|
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-5-hydroxy-2-[(1R,2S,4S,5'R,6S,6'R,7S,8S,9S,12S,13R,16S)-8-hydroxy-6'-methoxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
901.00
|
0.2
|
9
|
18
|
265.14
|
8
|
|
|
[(1S,2S,3S,3aR,8bS)-2-(dimethylcarbamoyl)-8b-hydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-1-yl] acetate
|
547.60
|
2.8
|
1
|
8
|
103.76
|
8
|
|
|
[(1S,2S,3S,3aR,8bS)-8b-hydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-2-(methylcarbamoyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-1-yl] acetate
|
533.60
|
2.7
|
2
|
8
|
112.55
|
8
|
|
|
methyl (1S,2S,3S,3aR,8bS)-1-hydroxy-6,8,8b-trimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylate
|
506.50
|
3.8
|
1
|
8
|
92.68
|
8
|
|
|
3-O-cis-p-Coumaroylmaslinic acid
|
618.80
|
8.8
|
3
|
6
|
104.06
|
5
|
|
|
Fortunolide A
|
312.40
|
0.3
|
1
|
4
|
63.6
|
0
|
|
|
Debenzoylgalloylpaeoniflorin
|
528.50
|
-2.6
|
8
|
14
|
225.06
|
7
|
|
|
Isomaltopaeoniflorin
|
642.60
|
-3.2
|
8
|
16
|
243.52
|
10
|
|
|
(1R,3aS,4S,8aR)-4-hydroxy-1,4-dimethyl-7-propan-2-yl-2,3,3a,5,6,8a-hexahydroazulene-1-sulfonic acid
|
302.40
|
1.7
|
2
|
4
|
82.98
|
2
|
|
|
1,3-Dicapryloyl-2-linoleoyl glycerol
|
606.90
|
12.7
|
0
|
6
|
78.9
|
34
|
|
|
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
|
610.50
|
-1.3
|
10
|
16
|
269.43
|
6
|
|
|
1-{[4-Hydroxy-3-({6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl}oxy)phenyl]methyl}-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol
|
610.70
|
6.4
|
2
|
8
|
83.86
|
9
|
|
|
Calycopterone
|
614.60
|
3.8
|
1
|
10
|
111.14
|
7
|
|
|
(1S,2R,5R,7R,8S)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undecan-8-ol
|
222.37
|
3.9
|
1
|
1
|
20.23
|
0
|
|
|
(1S,2R,4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-10-hydroxy-11-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
|
618.80
|
8.7
|
3
|
6
|
104.06
|
5
|
|
|
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z,2R)-2-(hydroxymethyl)-N-sulfooxybutanimidothioate
|
391.40
|
-1.6
|
6
|
12
|
220.02
|
8
|
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