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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Cirsiliol
|
330.29
|
2.6
|
3
|
7
|
109.36
|
3
|
|
|
(2S,3S,4S,5R,6R)-6-{[(6AR,6BS,8AS,12AR,14BR)-4,4,6A,6B,11,11,14B-Heptamethyl-8A-({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-YL]oxy}carbonyl)-1,2,3,4A,5,6,7,8,9,10,12,12A,14,14A-tetradecahydropicen-3-YL]oxy}-3,4-dihydroxy-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-YL]oxy}oxane-2-carboxylic acid
|
957.10
|
2.7
|
11
|
19
|
312.05
|
10
|
|
|
[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-N-sulfooxypent-4-enimidothioate
|
373.40
|
-0.8
|
5
|
11
|
199.79
|
8
|
|
|
(2S)-5,7-dihydroxy-8-[(2S)-5-hydroxy-5-methyl-2-prop-1-en-2-ylhexyl]-2-(2-hydroxyphenyl)-2,3-dihydrochromen-4-one
|
426.50
|
4.8
|
4
|
6
|
107.22
|
7
|
|
|
Methyl aristolate
|
310.30
|
4.1
|
0
|
5
|
53.99
|
3
|
|
|
Cryptotanshinone
|
296.40
|
3.8
|
0
|
3
|
43.37
|
0
|
|
|
Dracorubin
|
488.50
|
5.3
|
0
|
5
|
61.81
|
3
|
|
|
4-Octyne
|
110.20
|
3.4
|
0
|
0
|
0
|
2
|
|
|
Rha(a1-3)[coumaroyl(-4)]Gal(b)-O-EtPh(4-OH)
|
592.60
|
0.2
|
7
|
13
|
204.83
|
11
|
|
|
Glc(b1-3)[Fru(b2-6)]a-Glc
|
504.40
|
-6.6
|
11
|
16
|
268.68
|
7
|
|
|
Pareirubrine B
|
307.30
|
2
|
1
|
5
|
68.65
|
2
|
|
|
(1R,9R,11S)-12,12-dimethyl-6-propan-2-yl-16-oxatetracyclo[7.6.1.01,11.03,8]hexadeca-3,5,7-triene-4,5-diol
|
316.40
|
4.5
|
2
|
3
|
49.69
|
1
|
|
|
5-[(1S,5R,6R)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2,4-dihydroxybenzaldehyde
|
476.50
|
4.3
|
6
|
8
|
155.52
|
5
|
|
|
7,4'-Dihydroxy-8-prenylflavone
|
322.40
|
4.4
|
2
|
4
|
70.67
|
3
|
|
|
(3E)-3-[2-[(1S,4R,4aS,8aR)-4-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]oxolan-2-one
|
318.40
|
4.3
|
1
|
3
|
46.53
|
2
|
|
|
Integristerone A
|
496.60
|
-0.5
|
7
|
8
|
158.68
|
5
|
|
|
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]oxane-3,4,5-triol
|
552.50
|
-0.5
|
9
|
13
|
218.99
|
8
|
|
|
(3R,3aR,6aR)-3-(1,3-benzodioxol-5-yl)-3,3a,4,6a-tetrahydro-1H-furo[3,4-c]furan-6-one
|
248.23
|
1.1
|
0
|
5
|
53.99
|
1
|
|
|
(S)-14-Methylhexadecanoic acid
|
270.50
|
6.6
|
1
|
2
|
37.3
|
14
|
|
|
2'-Hydroxymatteucinol
|
330.30
|
3.1
|
3
|
6
|
96.22
|
2
|
|
|
(2S,3R,4S,5S,6R)-2-[4-[(Z)-2-(3,5-dihydroxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
390.40
|
1.7
|
6
|
8
|
139.84
|
5
|
|
|
8,13-Abietadien-18-oic acid
|
302.50
|
4.5
|
1
|
2
|
37.3
|
2
|
|
|
cis-Astringin
|
406.40
|
0.7
|
7
|
9
|
160.07
|
5
|
|
|
(2S,3R,4S,5S,6R)-2-[4-[(Z)-2-[3,5-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]phenyl]ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
714.70
|
-2.3
|
12
|
18
|
298.14
|
11
|
|
|
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(Z)-2-[3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethenyl]phenoxy]oxane-3,4,5-triol
|
552.50
|
-0.5
|
9
|
13
|
218.99
|
8
|
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