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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Vitetrifolin D
|
406.60
|
4.2
|
1
|
5
|
72.83
|
8
|
|
|
2-[(2R,4aR,8aS)-4a-methyl-8-methylidene-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]prop-2-enoic acid
|
412.50
|
0.9
|
5
|
8
|
136.68
|
5
|
|
|
Citrifolinin b epimer a
|
418.30
|
-3.2
|
5
|
12
|
180.2
|
5
|
|
|
norcaesalpinin A
|
418.50
|
2.6
|
1
|
7
|
103.04
|
4
|
|
|
(1S,2R,5S,6S,7R,8S,11R)-7-hydroxy-11-(2-hydroxypropan-2-yl)-6-methyl-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-9-oxatricyclo[6.2.1.02,6]undecan-10-one
|
446.50
|
-1.2
|
6
|
10
|
166.14
|
5
|
|
|
(3S,3aR,5R,8S,8aS)-3,8-dihydroxy-8-(hydroxymethyl)-3-methyl-5-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-3a,4,5,6,7,8a-hexahydro-1H-azulen-2-one
|
448.50
|
-2.2
|
7
|
10
|
177.14
|
5
|
|
|
2-(3,4-dihydroxyphenyl)-6-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-3-methoxychromen-4-one
|
452.50
|
6.3
|
4
|
7
|
120.36
|
7
|
|
|
Aceroside B2
|
460.50
|
2.6
|
5
|
8
|
128.84
|
3
|
|
|
Diosmetin 7-O-beta-D-glucopyranoside
|
462.40
|
0.8
|
6
|
11
|
179.28
|
5
|
|
|
GnetuhaininS
|
470.50
|
4.4
|
6
|
7
|
130.61
|
2
|
|
|
(1R,1'S,2'S,3S,5'S,6S,7S,9'S,10S,11R,12'R)-2'-hydroxy-2',3,11',12-tetramethyl-6'-methylidenespiro[2,9-dioxatetracyclo[9.3.0.01,3.06,10]tetradec-12-ene-7,14'-8-oxatetracyclo[10.2.1.01,10.05,9]pentadec-10-ene]-7',8-dione
|
492.60
|
2
|
1
|
6
|
85.36
|
0
|
|
|
(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R,5S)-2,3,5,6-tetrahydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
|
496.60
|
-0.5
|
7
|
8
|
158.68
|
5
|
|
|
Lycernuic ketone B
|
516.70
|
5.4
|
3
|
6
|
104.06
|
3
|
|
|
2-Deacetoxydecinnamoyltaxinine J
|
520.60
|
2.2
|
1
|
9
|
125.43
|
8
|
|
|
(2S,3S,4S,5R,6S)-6-[[6-(2,3-dihydroxy-4-methoxyphenyl)-9-hydroxy-8-oxo-[1,3]dioxolo[4,5-g]chromen-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
|
536.40
|
0.7
|
7
|
15
|
235.04
|
5
|
|
|
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(7-hydroxy-2-oxo-10-phenyl-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-8-yl)oxy]oxan-2-yl]methyl N-carbamoylcarbamate
|
540.50
|
1.3
|
6
|
11
|
207.1
|
6
|
|
|
[(1R,3S,4S,5R,7S,8R,9R,10E,12S,13S,14S)-4,9,13-triacetyloxy-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.01,12.05,7]hexadec-10-en-8-yl] 2-phenylacetate
|
610.70
|
3.9
|
0
|
10
|
134.8
|
10
|
|
|
(4aR,5R,6aR,6aS,6bR,8R,8aR,9R,10S,12aR,14bS)-5,8-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
636.80
|
2.8
|
7
|
10
|
177.14
|
4
|
|
|
Galphin B
|
674.80
|
4.1
|
1
|
12
|
164.26
|
9
|
|
|
[(1S,2S,4S,5R,6R,7S,9R,12R)-5-acetyloxy-6-(acetyloxymethyl)-7,12-dibenzoyloxy-2-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-4-yl] pyridine-3-carboxylate
|
715.70
|
4.2
|
1
|
13
|
173.85
|
14
|
|
|
[(2R,3R,4S,5R,6R)-6-[(R)-cyano(phenyl)methoxy]-3-hydroxy-4,5-bis[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
|
751.60
|
2.4
|
10
|
19
|
323.45
|
13
|
|
|
isorhamnetin 3-O-alpha-L-[6''''-p-coumaroyl-beta-D-glucopyranosyl-(1->2)-rhamnopyranoside]
|
770.70
|
1.3
|
9
|
18
|
284.73
|
11
|
|
|
[(2S,3S,4R,5R)-2-[(2R,3R,4R,5S,6R)-6-(acetyloxymethyl)-3,4-dihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]oxy-2,5-bis(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl] (E)-3-phenylprop-2-enoate
|
822.80
|
-1.6
|
9
|
20
|
307.12
|
18
|
|
|
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-5-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
855.00
|
1.5
|
8
|
16
|
235.68
|
8
|
|
|
rotundifolioside J
|
911.10
|
2.7
|
9
|
16
|
246.68
|
7
|
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