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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
cyclo[Gly-Ile-Leu-Gly-Ser-Pro-Ile-Leu-Leu]
|
864.10
|
3.3
|
9
|
10
|
273.34
|
11
|
|
|
Xyl(b1-6)Glc(b)-O-Ph(2-CH2OH)
|
418.40
|
-3.3
|
7
|
11
|
178.53
|
6
|
|
|
coumaroyl(3-OH)(-6)Glc(b)-O-Ph(2-CH2OH)
|
448.40
|
0.2
|
6
|
10
|
166.14
|
8
|
|
|
(3S,3aR,6E,9S,10E,11aS)-3,6,10-trimethyl-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2-one
|
412.50
|
0.2
|
4
|
8
|
125.68
|
3
|
|
|
[(6aS)-11-hydroxy-1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-yl]-[(12S)-4,6,19,21-tetraoxa-13-azahexacyclo[10.10.1.02,10.03,7.016,23.018,22]tricosa-1(23),2(10),3(7),8,16,18(22)-hexaen-13-yl]methanone
|
662.70
|
5.4
|
1
|
9
|
108.39
|
3
|
|
|
[(12S)-17-hydroxy-18-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaen-11-yl]-[(12S)-4,6,19,21-tetraoxa-13-azahexacyclo[10.10.1.02,10.03,7.016,23.018,22]tricosa-1(23),2(10),3(7),8,16,18(22)-hexaen-13-yl]methanone
|
646.60
|
5.2
|
1
|
9
|
108.39
|
1
|
|
|
[(2R,3Z,5S,7S,8E,10S,11R,13S)-2,3,5-triacetyloxy-7,10-dihydroxy-8-(hydroxymethyl)-4,14,15,15-tetramethyl-13-bicyclo[9.3.1]pentadeca-1(14),3,8-trienyl] acetate
|
552.60
|
0
|
3
|
11
|
165.89
|
9
|
|
|
(2S)-2-phenyl-9-[(Z)-3-phenylprop-2-enoyl]-1,5,9-triaza-14-azoniabicyclo[12.3.1]octadec-14(18)-en-4-one
|
473.60
|
2.8
|
1
|
2
|
55.66
|
3
|
|
|
Gal(b1-6)Gal(b1-6)aldehydo-Gal
|
504.40
|
-7.2
|
11
|
16
|
276.52
|
11
|
|
|
(1S,2S,6S,7S,9R,13S,17S)-15-(hydroxymethyl)-4-methoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-4,14-diene-3,11,16-trione
|
388.50
|
1.9
|
1
|
6
|
89.9
|
2
|
|
|
methyl (2E,4Z,6E,8E,10E,12E,14E,16Z,18Z,20E)-4,8,13,17,21,25-hexamethylhexacosa-2,4,6,8,10,12,14,16,18,20,24-undecaenoate
|
472.70
|
11.7
|
0
|
2
|
26.3
|
14
|
|
|
CID 101704369
|
1001.90
|
-3.3
|
12
|
24
|
385.91
|
13
|
|
|
(6S)-6-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyhept-1-en-3-one
|
1123.30
|
-1.1
|
15
|
24
|
394.36
|
17
|
|
|
(3I(2),12I(2))-20-[(6-O-I(2)-D-Glucopyranosyl-I(2)-D-glucopyranosyl)oxy]-24-hydroperoxy-12-hydroxydammar-25-en-3-yl 2-O-I(2)-D-glucopyranosyl-I(2)-D-glucopyranoside
|
1141.30
|
-0.7
|
16
|
25
|
406.75
|
18
|
|
|
(2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6S)-6-[(2S)-2-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-3-[(2R,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-en-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
|
1373.50
|
-3.3
|
19
|
31
|
495.13
|
20
|
|
|
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(E,2S)-6-hydroperoxy-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-4-en-2-yl]-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
979.20
|
0.8
|
13
|
20
|
327.6
|
14
|
|
|
Notoginsenoside H
|
949.10
|
-0.5
|
13
|
19
|
318.37
|
12
|
|
|
Notoginsenoside I
|
1093.30
|
1.6
|
14
|
22
|
357.06
|
16
|
|
|
(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-17-[(2S)-5,6-dihydroxy-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
835.00
|
0.4
|
12
|
16
|
279.68
|
11
|
|
|
[(1R,2S,4R,5S,6R,8R,10R,11R)-5-[(3aS,5S,6aS)-3a,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]-2-acetyloxy-4,5-dimethylspiro[9-oxatricyclo[6.2.2.01,6]dodecane-11,2'-oxirane]-10-yl] (E)-2-methylbut-2-enoate
|
488.60
|
3.7
|
0
|
8
|
92.82
|
6
|
|
|
[(1R,2S,4R,5S,6R,8R,10R,11R)-5-[(3aS,5S,6aS)-3a,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]-2-acetyloxy-4,5-dimethylspiro[9-oxatricyclo[6.2.2.01,6]dodecane-11,2'-oxirane]-10-yl] (2R)-2-methylbutanoate
|
490.60
|
3.9
|
0
|
8
|
92.82
|
7
|
|
|
[(1R,2S,4R,5S,6R,8R,10R,11R)-5-[(2S,3aS,6aR)-5-oxo-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-2-yl]-2-acetyloxy-4,5-dimethylspiro[9-oxatricyclo[6.2.2.01,6]dodecane-11,2'-oxirane]-10-yl] (E)-2-methylbut-2-enoate
|
504.60
|
3.1
|
0
|
9
|
109.89
|
6
|
|
|
(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
|
428.70
|
7.4
|
2
|
2
|
40.46
|
5
|
|
|
(1S,2R)-1,2,9-trihydroxy-3,3-dimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazole-5-carbaldehyde
|
327.30
|
1.4
|
4
|
5
|
102.78
|
1
|
|
|
[(1R,3R,4S,6S,8S,9S,10S,12R,13S,14R,15R)-1,8,12,14,15-pentaacetyloxy-3,7,7,15-tetramethyl-11-methylidene-10-(2-methylpropoxy)-2-oxo-5-oxatricyclo[11.3.0.04,6]hexadecan-9-yl] acetate
|
724.80
|
2.6
|
0
|
15
|
196.63
|
15
|
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