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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
methyl (3R,7S,8S)-7-ethyl-5-methyl-5,12-diazatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),9,13,15,17-pentaene-3-carboxylate
|
338.40
|
3.6
|
1
|
3
|
45.33
|
3
|
|
|
(4aR,5S,6S,7R,7aR)-5,6,7-trihydroxy-7-(hydroxymethyl)-1,4,4a,5,6,7a-hexahydrocyclopenta[c]pyran-3-one
|
218.20
|
-2.1
|
4
|
6
|
107.22
|
1
|
|
|
(4aR,5R)-5-hydroxy-7-methyl-4,4a,5,6-tetrahydro-3H-cyclopenta[c]pyran-1-one
|
168.19
|
0.2
|
1
|
3
|
46.53
|
0
|
|
|
(1R,4aR,5S,6R,7R,7aS)-7-(hydroxymethyl)-3,4,4a,5,6,7a-hexahydro-1H-cyclopenta[c]pyran-1,5,6,7-tetrol
|
220.22
|
-2.2
|
5
|
6
|
110.38
|
1
|
|
|
Subamolide B
|
340.50
|
6.5
|
1
|
4
|
55.76
|
13
|
|
|
Subamolide A
|
340.50
|
6.5
|
1
|
4
|
55.76
|
13
|
|
|
Secosubamolide
|
340.50
|
6.4
|
1
|
4
|
63.6
|
16
|
|
|
12beta-Acetoxycimigenol
|
546.70
|
4.5
|
3
|
7
|
105.45
|
3
|
|
|
Verazine
|
397.60
|
5.9
|
1
|
2
|
32.59
|
2
|
|
|
(4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-10-hydroxy-11-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
618.80
|
8.8
|
3
|
6
|
104.06
|
5
|
|
|
2-O-caffeoyl maslinic acid
|
634.80
|
8.5
|
4
|
7
|
124.29
|
5
|
|
|
4,6-Dihydroxy-2,3-dimethoxyxanthone
|
288.25
|
2.2
|
2
|
6
|
89.13
|
2
|
|
|
2,6-Dihydroxy-3,4-dimethoxyxanthone
|
288.25
|
2.2
|
2
|
6
|
89.13
|
2
|
|
|
3,6-Dihydroxy-1,2-dimethoxyxanthone
|
288.25
|
2.2
|
2
|
6
|
89.13
|
2
|
|
|
3,7-Dihydroxy-2,4-dimethoxyxanthone
|
288.25
|
2.2
|
2
|
6
|
89.13
|
2
|
|
|
6-Hydroxy-2,3,4-trimethoxyxanthone
|
302.28
|
2.5
|
1
|
6
|
78.13
|
3
|
|
|
4,7-Dihydroxy-2,3-dimethoxyxanthone
|
288.25
|
2.2
|
2
|
6
|
89.13
|
2
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-8a-(acetyloxymethyl)-8,9-dihydroxy-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
|
1263.40
|
-0.9
|
15
|
28
|
446.96
|
18
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aS,9R,10R,12aS,14aR,14bR)-8-acetyloxy-4-formyl-9-hydroxy-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(E)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
|
1231.30
|
-0.4
|
13
|
27
|
423.57
|
17
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aS,9R,10R,12aS,14aR,14bR)-8-acetyloxy-8a-(acetyloxymethyl)-4-formyl-9-hydroxy-4,6a,6b,11,11,14b-hexamethyl-10-[(E)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
|
1273.40
|
-0.4
|
12
|
28
|
429.64
|
19
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,9S,12aS,14aR,14bR)-8-hydroxy-8a-(hydroxymethyl)-4-methoxycarbonyl-4,6a,6b,11,11,14b-hexamethyl-9-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
|
1203.30
|
0.6
|
13
|
26
|
406.5
|
16
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-8,9-dihydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
|
1221.30
|
-0.9
|
16
|
27
|
440.89
|
16
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aS,9S,12aS,14aR,14bR)-4-formyl-8,9-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-8a-[[(Z)-2-methylbut-2-enoyl]oxymethyl]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
|
1173.30
|
-0.3
|
13
|
25
|
397.27
|
15
|
|
|
Cucumegastigmane I
|
240.29
|
-0.5
|
3
|
4
|
77.76
|
3
|
|
|
(4S)-4-hydroxy-4-[(E,3S)-3-hydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-one
|
402.40
|
-2.1
|
6
|
9
|
156.91
|
6
|
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