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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
5,6-Dihydroxy-2-(2-phenylethyl)chromone
|
282.29
|
3.6
|
2
|
4
|
70.67
|
3
|
|
|
Gancaonin L
|
354.40
|
4.2
|
4
|
6
|
111.13
|
3
|
|
|
Gancaonin M
|
352.40
|
4.9
|
2
|
5
|
79.9
|
4
|
|
|
Gancaonin N
|
368.40
|
4.6
|
3
|
6
|
100.13
|
4
|
|
|
Gancaonin O
|
354.40
|
4.2
|
4
|
6
|
111.13
|
3
|
|
|
16-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-18-ol
|
311.30
|
2.4
|
2
|
5
|
59.95
|
1
|
|
|
Fissistigine A
|
311.30
|
2.4
|
2
|
5
|
59.95
|
1
|
|
|
(12R)-16,18-dimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaene
|
325.40
|
2.8
|
1
|
5
|
48.95
|
2
|
|
|
Methyl 3-(3,4,5-trimethoxyphenyl)acrylate
|
252.26
|
2.1
|
0
|
5
|
53.99
|
6
|
|
|
Cascaroside B
|
580.50
|
-1.9
|
10
|
14
|
247.06
|
6
|
|
|
Blepharin
|
327.29
|
-1.3
|
5
|
8
|
137.71
|
3
|
|
|
2-beta-d-Glucopyranosyloxy-1,4-benzoxazin-3-one
|
327.29
|
-1.3
|
5
|
8
|
137.71
|
3
|
|
|
[4,5-Dihydroxy-2-(hydroxymethyl)-6-(3,4,5-trihydroxybenzoyl)oxyoxan-3-yl] 3,4,5-trihydroxybenzoate
|
484.40
|
-0.8
|
9
|
14
|
243.9
|
7
|
|
|
1,4-di-O-galloyl-alpha-d-glucopyranose
|
484.40
|
-0.8
|
9
|
14
|
243.9
|
7
|
|
|
9,10-dihydroxy-3-(hydroxymethyl)-7-methoxy-3,8-dimethyl-5-(2,5,10-trihydroxy-7-methoxy-2,6-dimethyl-4-oxo-1,3-dihydroanthracen-9-yl)-4H-benzo[g]isochromen-1-one
|
618.60
|
5.2
|
6
|
11
|
183.21
|
4
|
|
|
Benzoylgomisin Q
|
552.60
|
5.2
|
1
|
9
|
101.91
|
9
|
|
|
(1S,2R,6S,7R,9R,11S,12S,15S,16S)-15-[(1R)-1-[(1S,4R,6S)-1,6-dimethyl-2-oxo-3,7-dioxabicyclo[4.1.0]heptan-4-yl]-1-hydroxyethyl]-6-hydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one
|
486.60
|
2.5
|
2
|
7
|
108.89
|
2
|
|
|
Ixocarpanolide
|
472.60
|
3.8
|
2
|
6
|
96.36
|
2
|
|
|
(1S,2S,4S,5R,10R,11S,14S,15S,18S)-15-[(1R)-1-[(2R,4S,5R)-4,5-dimethyl-6-oxooxan-2-yl]-1-hydroxyethyl]-5-hydroxy-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-7-en-9-one
|
472.60
|
3.8
|
2
|
6
|
96.36
|
2
|
|
|
14alpha-Hydroxyixocarpanolide
|
488.60
|
2.4
|
3
|
7
|
116.59
|
2
|
|
|
(1S,2S,4S,5R,10R,11S,14R,15S,18R)-15-[(1R)-1-[(2R,4S,5R)-4,5-dimethyl-6-oxooxan-2-yl]-1-hydroxyethyl]-5,18-dihydroxy-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-7-en-9-one
|
488.60
|
2.4
|
3
|
7
|
116.59
|
2
|
|
|
Lactiflorin
|
462.40
|
-0.5
|
3
|
10
|
140.98
|
5
|
|
|
(+)-Lactiflorin
|
462.40
|
-0.5
|
3
|
10
|
140.98
|
5
|
|
|
11-hydroxy-1-(hydroxymethyl)-3,3,5a,5b,10,11,13b-heptamethyl-4,5,6,7,8,9,10,11a,13,13a-decahydro-3aH-cyclopenta[a]chrysene-7a-carboxylic acid
|
470.70
|
5.3
|
3
|
4
|
77.76
|
2
|
|
|
Hyptadienic acid
|
470.70
|
5.3
|
3
|
4
|
77.76
|
2
|
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