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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
2-[[(11S,12R)-12-[(14R,15S,19S)-19-[6-[[(10R,11S)-10-[(14R,15S,19R)-2,3,4,7,8,9,19-heptahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaen-14-yl]-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-11-yl]oxycarbonyl]-2,3,4-trihydroxyphenyl]-2,3,4,7,8,9-hexahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaen-14-yl]-3,4,17,18,19-pentahydroxy-8,14-dioxo-11-(3,4,5-trihydroxybenzoyl)oxy-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-5-yl]oxy]-3,4,5-trihydroxybenzoic acid
|
2023.40
|
3.5
|
34
|
56
|
977.12
|
12
|
|
|
2-[[(11S,12R)-12-[(14R,15S,19S)-19-[6-[[(10R,11S)-17-(6-carboxy-2,3,4-trihydroxyphenoxy)-10-[(14R,15S,19R)-2,3,4,7,8,9,19-heptahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaen-14-yl]-3,4,5,18,19-pentahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-11-yl]oxycarbonyl]-2,3,4-trihydroxyphenyl]-2,3,4,7,8,9-hexahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaen-14-yl]-3,4,17,18,19-pentahydroxy-8,14-dioxo-11-(3,4,5-trihydroxybenzoyl)oxy-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-5-yl]oxy]-3,4,5-trihydroxybenzoic acid
|
2191.50
|
3.8
|
37
|
61
|
1064.11
|
15
|
|
|
2-[[(11S,12R)-12-[(14R,15S,19S)-19-[6-[[(10S,11S)-10-[(1S,2R)-2-carboxy-1-hydroxy-2-(3,4,5-trihydroxybenzoyl)oxyethyl]-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-11-yl]oxycarbonyl]-2,3,4-trihydroxyphenyl]-2,3,4,7,8,9-hexahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaen-14-yl]-3,4,17,18,19-pentahydroxy-8,14-dioxo-11-(3,4,5-trihydroxybenzoyl)oxy-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-5-yl]oxy]-3,4,5-trihydroxybenzoic acid
|
1889.30
|
3.2
|
32
|
53
|
927.43
|
17
|
|
|
2-[[(10S,11R,12R,13S,15R)-13-[2-[(14R,15S,19S)-14-[(10R,11S)-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-11-(3,4,5-trihydroxybenzoyl)oxy-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]-2,3,4,7,8,9-hexahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaen-19-yl]-3,4,5-trihydroxybenzoyl]oxy-3,4,5,11,12,22,23-heptahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-21-yl]oxy]-3,4,5-trihydroxybenzoic acid
|
1721.20
|
2.3
|
29
|
48
|
832.6
|
11
|
|
|
(1R,2S,8S,9S)-2,6,6,9-tetramethyl-12-oxatricyclo[6.3.1.01,7]dodecan-9-ol
|
238.37
|
3.3
|
1
|
2
|
29.46
|
0
|
|
|
[(4aR,9S,9aR)-9a-[[(4aR,9S,9aR)-3-(hydroxymethyl)-5,5,9-trimethyl-2,4a,6,7,8,9-hexahydro-1H-benzo[7]annulen-9a-yl]oxy]-5,5,9-trimethyl-2,4a,6,7,8,9-hexahydro-1H-benzo[7]annulen-3-yl]methanol
|
458.70
|
6.2
|
2
|
3
|
49.69
|
4
|
|
|
(3S,3aS,7S,8aS)-3-hydroxy-3-(hydroxymethyl)-7-methyl-6-[(E)-3-oxobut-1-enyl]-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-2-one
|
280.32
|
0.8
|
2
|
5
|
83.83
|
3
|
|
|
(1'R,3R,3'R,3aR,7R,7'R,8aS,9'S,10'R)-12'-acetyl-10'-hydroxy-7,9'-dimethyl-4'-methylidene-6-(3-oxobutyl)spiro[4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-3,13'-6,14-dioxatricyclo[8.4.0.03,7]tetradec-11-ene]-2,5'-dione
|
512.60
|
2
|
1
|
8
|
116.2
|
4
|
|
|
(3S,5R,8R,9S,10R,13R,14S,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylhept-6-en-2-yl]-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
428.70
|
10.4
|
1
|
1
|
20.23
|
5
|
|
|
(2S,3R,4S,5S,6R)-2-(4,8-dihydroxy-6-methylnaphthalen-1-yl)oxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
|
484.40
|
-1.4
|
8
|
12
|
198.76
|
5
|
|
|
Ginsenoside Rs3
|
827.00
|
4
|
8
|
14
|
225.06
|
12
|
|
|
(1S,2R,3S,4S,4aS,5'S,8aR)-5'-(furan-3-yl)-1,2-dihydroxy-8,8a-bis(hydroxymethyl)-3-methylspiro[1,2,3,4a,5,6-hexahydronaphthalene-4,3'-oxolane]-2'-one
|
378.40
|
0.2
|
4
|
7
|
120.36
|
3
|
|
|
(1S,2R,3S,4S,4aS,5'S,7R,8aR)-5'-(furan-3-yl)-1,2,7-trihydroxy-8a-(hydroxymethyl)-3-methyl-8-methylidenespiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-4,3'-oxolane]-2'-one
|
378.40
|
0.3
|
4
|
7
|
120.36
|
2
|
|
|
[(1S,3S,7S,12R,13R,14R,15R,16R,17R,18S)-18-(furan-3-yl)-15-hydroxy-7,13,17-trimethyl-21-methylidene-5,10,20-trioxo-2,6,9-trioxapentacyclo[12.6.1.01,17.03,13.07,12]henicosan-16-yl] 3-methylbutanoate
|
570.60
|
2
|
1
|
10
|
138.57
|
5
|
|
|
[(1R,2R,4S,5R,7S,8R,9R,10R,12S,16S,21R)-5-acetyloxy-7-(furan-3-yl)-4-hydroxy-1,8,16-trimethyl-3-methylidene-14,19-dioxo-11,15,18-trioxapentacyclo[10.9.0.02,10.04,8.016,21]henicosan-9-yl] 3-methylbutanoate
|
614.70
|
2.4
|
1
|
11
|
147.8
|
7
|
|
|
[(1R,2R,4S,7S,8R,9R,10R,12S,16S,21R)-7-(furan-3-yl)-4-hydroxy-1,8,16-trimethyl-3-methylidene-5,14,19-trioxo-11,15,18-trioxapentacyclo[10.9.0.02,10.04,8.016,21]henicosan-9-yl] 3-methylbutanoate
|
570.60
|
2
|
1
|
10
|
138.57
|
5
|
|
|
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-hydroxy-2-methylidenebutanoyl)oxyoxan-2-yl]methyl (3S)-3,4-dihydroxy-2-methylidenebutanoate
|
392.35
|
-2.8
|
6
|
11
|
183.21
|
11
|
|
|
[(2R,3S,4S,5R,6S)-4-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-methyl-4-[(Z)-2-methylbut-2-enoyl]oxyoxan-2-yl]oxy-6-(2-hydroxy-3-methyl-6-propan-2-ylphenoxy)-2-methyl-5-(3-methylbutanoyloxy)oxan-3-yl] (Z)-2-methylbut-2-enoate
|
706.80
|
5.7
|
3
|
13
|
176.51
|
15
|
|
|
[(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-[(2S,3R,4S,5S,6R)-2-(2-hydroxy-3-methyl-6-propan-2-ylphenoxy)-6-methyl-3,5-bis[[(Z)-2-methylbut-2-enoyl]oxy]oxan-4-yl]oxy-2-methyloxan-3-yl] (Z)-2-methylbut-2-enoate
|
704.80
|
5.6
|
3
|
13
|
176.51
|
14
|
|
|
[(2R,3S,4S,5R,6S)-4-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-methyl-4-[(Z)-2-methylbut-2-enoyl]oxyoxan-2-yl]oxy-6-(2-hydroxy-3-methyl-6-propan-2-ylphenoxy)-2-methyl-5-[(Z)-2-methylbut-2-enoyl]oxyoxan-3-yl] (Z)-2-methylbut-2-enoate
|
704.80
|
5.6
|
3
|
13
|
176.51
|
14
|
|
|
[(2R,3R,4R,5R,6S)-6-[(2S,3R,4S,5S,6R)-5-acetyloxy-2-(2-hydroxy-3-methyl-6-propan-2-ylphenoxy)-6-methyl-3-[(Z)-2-methylbut-2-enoyl]oxyoxan-4-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl] (Z)-2-methylbut-2-enoate
|
664.70
|
4.4
|
3
|
13
|
176.51
|
13
|
|
|
[(2R,3S,4R,5R,6S)-4-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-methyl-4-[(Z)-2-methylbut-2-enoyl]oxyoxan-2-yl]oxy-5-hydroxy-6-(2-hydroxy-3-methyl-6-propan-2-ylphenoxy)-2-methyloxan-3-yl] (Z)-2-methylbut-2-enoate
|
622.70
|
3.8
|
4
|
12
|
170.44
|
11
|
|
|
[(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-[(2S,3R,4S,5S,6R)-2-(2-hydroxy-3-methyl-6-propan-2-ylphenoxy)-6-methyl-3-(3-methylbutanoyloxy)-5-[(Z)-2-methylbut-2-enoyl]oxyoxan-4-yl]oxy-2-methyloxan-3-yl] (Z)-2-methylbut-2-enoate
|
706.80
|
5.7
|
3
|
13
|
176.51
|
15
|
|
|
[(2S,3R,4S,5S,6R)-2-[(2S,3R,4R,5S,6R)-5-acetyloxy-3-hydroxy-2-(2-hydroxy-3-methyl-6-propan-2-ylphenoxy)-6-methyloxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl] (Z)-2-methylbut-2-enoate
|
582.60
|
2.6
|
4
|
12
|
170.44
|
10
|
|
|
[(2R,3R,4R,5R,6S)-4-[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-methyl-5-(3-methylbutanoyloxy)oxan-2-yl]oxy-5-hydroxy-6-(2-hydroxy-3-methyl-6-propan-2-ylphenoxy)-2-methyloxan-3-yl] (Z)-2-methylbut-2-enoate
|
624.70
|
3.9
|
4
|
12
|
170.44
|
12
|
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