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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(1S,2S,3'S,4S,6S,7R,8R,9S,11S,12S,13S,16R,18S)-7,16-dihydroxy-2',2',3',7,9,13-hexamethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,5'-oxolane]-11-yl] acetate
|
504.70
|
4.8
|
2
|
6
|
85.22
|
2
|
|
|
(2R)-2-[(1S)-1-[(8R,9S,10R,13S,14R,17S)-14,17-dihydroxy-10,13-dimethyl-1-oxo-2,7,8,9,11,12,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-1-hydroxyethyl]-5-(hydroxymethyl)-4-methyl-2,3-dihydropyran-6-one
|
486.60
|
1.6
|
4
|
7
|
124.29
|
3
|
|
|
(+)-Epi-Neoclausenamide
|
297.30
|
1.5
|
2
|
3
|
60.77
|
3
|
|
|
Neoclausenamide
|
297.30
|
1.5
|
2
|
3
|
60.77
|
3
|
|
|
(-)-Epi-Clausenamide
|
297.30
|
1.5
|
2
|
3
|
60.77
|
3
|
|
|
Platyconic acid B
|
1281.30
|
-3.2
|
16
|
30
|
476.42
|
17
|
|
|
Urolithin B 3-O-glucuronide
|
388.30
|
1.1
|
4
|
9
|
146.66
|
3
|
|
|
L-erythronic acid
|
136.10
|
-2.1
|
4
|
5
|
97.99
|
3
|
|
|
3,4-Dimethoxy-[1,3]benzodioxolo[5,6-c]phenanthridine
|
333.30
|
4.4
|
0
|
5
|
49.81
|
2
|
|
|
(2R,3R,4S,5S,6R)-2-[(3R)-6,6-bis(3,4-dihydroxyphenyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
480.50
|
-0.1
|
8
|
11
|
189.53
|
5
|
|
|
4-[(5S)-2-(3,4-dihydroxyphenyl)-5-(hydroxymethyl)oxolan-2-yl]benzene-1,2-diol
|
318.32
|
1.5
|
5
|
6
|
110.38
|
3
|
|
|
(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
|
754.60
|
-2.1
|
11
|
20
|
325.19
|
9
|
|
|
(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxochromen-7-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
|
784.70
|
-2.2
|
11
|
21
|
334.42
|
10
|
|
|
(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-4,5-dihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
|
770.60
|
-2.5
|
12
|
21
|
345.42
|
9
|
|
|
Acacetin 7-O-|A-D-glucuronopyranosyl-(1 inverted exclamation marku2)[|A-L-rhamnopyranosyl-(1 inverted exclamation marku6)]-|A-D-glucopyranoside
|
768.70
|
-1.8
|
10
|
20
|
314.19
|
10
|
|
|
Acacetin 7-O-|A-D-xylopyranosyl-(1 inverted exclamation marku2)[|A-L-rhamnopyranosyl-(1 inverted exclamation marku6)]-|A-D-glucopyranoside
|
724.70
|
-2
|
9
|
18
|
276.89
|
9
|
|
|
(1R,2R,3R,6R,7S,8R,9S,12S,13R,14R,15R,16R)-3,6,8,14,15-pentahydroxy-2,6,13,16-tetramethyl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadec-4-en-11-one
|
368.40
|
-0.6
|
5
|
7
|
127.45
|
0
|
|
|
methyl (1R,2S,3R,6R,8S,9S,10R,13S,14R,15R,16S,17S)-3-[(E)-4-acetyloxy-3,4-dimethylpent-2-enoyl]oxy-10,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadecane-17-carboxylate
|
608.60
|
0.9
|
3
|
13
|
192.19
|
8
|
|
|
[(2Z)-6-methylidene-2-(4-methylpent-3-enyl)octa-2,7-dienyl] acetate
|
262.40
|
5.5
|
0
|
2
|
26.3
|
10
|
|
|
2-Aminoethyl dihydrogen phosphate
|
141.06
|
-4.8
|
3
|
5
|
102.59
|
3
|
|
|
Catenarin
|
286.24
|
2.9
|
4
|
6
|
115.06
|
0
|
|
|
(3S,7S,8S,9R,10R,13R,14S,17R)-7-hydroxy-17-[(2S,3S,4S)-3-hydroxy-6-methyl-4-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-4,4,13,14-tetramethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-9-carbaldehyde
|
813.00
|
1.1
|
10
|
15
|
256.29
|
11
|
|
|
Acetylfawcettiine
|
349.50
|
2.9
|
0
|
5
|
55.84
|
4
|
|
|
(2S,4R,6E)-2-hydroxy-6-[(E)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-enylidene]-4-[(4-hydroxyphenyl)methyl]-2,4-bis[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohexane-1,3,5-trione
|
718.70
|
-1.5
|
12
|
17
|
312.43
|
8
|
|
|
(4bR,7S,8aR)-4b-(3-hydroxypropyl)-7-methyl-7,8,8a,9-tetrahydro-6H-indeno[2,1-b]pyridin-5-one
|
259.34
|
1.8
|
1
|
3
|
50.19
|
3
|
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