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SCFBio, IIT Delhi Hauz Khas, New Delhi

Chemical Library

Physicochemical properties (MW, LogP) of all entries.

Total Rows 105,909
Pages 4,237
BIMP_ID Name Mol Weight LogP HBD HBA TPSA Rotatable Bonds
rollidecin D
606.90
10.9
2
6
85.22
25
(14S)-6,20,25-trimethoxy-15,30-dimethyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-3(36),4,6,9(35),10,12(34),18,20,22(33),24,26,31-dodecaen-21-ol
608.70
6.3
1
8
72.86
3
Segetalin H
610.70
-0.5
9
8
250.36
9
Annohexocin
628.90
6.3
6
9
156.91
26
16alpha-Acetoxyasclepin
632.70
1.1
2
12
164.12
6
7-O-deacetylorthosiphol O
634.70
4.7
3
10
156.66
9
Orthosiphol K
634.70
4.7
3
10
156.66
9
Cimiside A
636.80
2.4
6
10
158.3
3
Rollimusin
638.90
7.6
4
8
125.68
25
Lugrandoside
640.60
-1
10
16
265.52
12
Taxinine B
664.70
4.1
0
11
148.57
12
(2R,3R,4R,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-2,3-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
664.80
4
7
11
194.21
5
(6aS)-8-[4-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]-1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
666.80
6.7
0
9
71.09
10
Tenuifoliside B
668.60
-0.9
8
17
260.59
14
[(2R,4R,4aS,4bS,5R,6R,8aR,10R,10aR)-6,10-diacetyloxy-5-benzoyloxy-2-ethenyl-10a-hydroxy-2,4b,8,8-tetramethyl-1,7-dioxo-3,4,4a,5,6,8a,9,10-octahydrophenanthren-4-yl] benzoate
674.70
5.4
1
11
159.57
11
3-[3,4-Dihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carb
680.70
-2.1
7
14
221.9
7
Neoorthosiphol A
692.70
4.3
3
12
182.96
11
Dicerandrol B
708.70
2.2
5
15
232.65
9
[2-methyl-1-[(4Z)-5-oxo-4-[2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethylidene]oxolan-2-yl]prop-2-enyl] (E)-3-(4-acetyloxyphenyl)prop-2-enoate
716.70
3
0
16
202.56
20
Jatrophane 2
758.80
3.7
1
15
204.33
15
(3beta,5beta,8xi,9xi,16beta)-16-(Acetyloxy)-3,14-dihydroxycard-20(22)-enolide
432.50
1.9
2
6
93.06
3
[(10R,11R,12R,13S,15R)-3,4,5,12,21,22,23-heptahydroxy-8,18-dioxo-13-(3,4,5-trihydroxybenzoyl)oxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-11-yl] 3,4,5-trihydroxybenzoate
786.60
1.2
13
22
377.42
6
Mallotinic acid
802.60
0.4
14
23
397.65
6
L-Tyrosine, L-valyl-L-alanyl-L-tryptophyl-L-tryptophyl-L-methionyl-
855.00
1.6
10
10
285.93
21
(11S)-11-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxyhexadecanoic acid
889.00
-0.2
12
21
333.67
24
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