Compound 382
  CheckMol                        TMF02:r0:m0
MF=C24H38O19 MW=630.55
 43 48  0  8  1               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2780   -0.7223   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2502   -0.7223   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6948   -0.0556   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2918   -2.1670   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2363   -2.1670   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5004    0.0278   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8339   -0.6945   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5698   -2.8893   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0417   -2.8893   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4865   -2.8893   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4865    1.5002   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1813   -0.0833   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0006   -2.1392   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0556   -4.3339   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1675   -1.1529   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5144    1.0001   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2503   -1.2085   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4452   -2.4309   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2641   -4.9590   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5561    2.4726   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1948    0.3612   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6115   -4.3062   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3474   -6.4870   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0140    1.0279   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3062   -5.3619   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417   -7.1399   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1254   -7.3899   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9865   -5.9453   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2924   -6.4315   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5701   -7.6816   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8614   -5.2646   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4862   -5.9175   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7640   -5.1674   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5556   -7.4872   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0142   -5.8897   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7780   -8.0706   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7501   -8.0706   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0003   -7.3344   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2644   -5.1396   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7362   -9.5152   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2505   -8.0567   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5145   -5.8619   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  1  0  0
  1  3  1  0  1  0  0
  2  4  1  6  0  0  0
  2  5  1  0  1  0  0
  3  6  1  0  1  0  0
  3  7  1  6  0  0  0
  8  4  1  6  0  0  0
  5  9  1  1  0  0  0
  5 10  1  0  1  0  0
  6 11  1  6  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  2  0  0
  8 14  1  0  2  0  0
 10 15  1  6  0  0  0
 13 16  1  1  2  0  0
 13 17  1  0  2  0  0
 14 18  1  1  2  0  0
 14 19  1  0  2  0  0
 20 15  1  1  0  0  0
 17 21  1  6  0  0  0
 17 22  1  0  2  0  0
 20 23  1  0  2  0  0
 20 24  1  0  2  0  0
 22 25  1  6  0  0  0
 26 23  1  6  2  0  0
 24 27  1  1  0  0  0
 24 28  1  0  2  0  0
 26 29  1  0  2  0  0
 26 30  1  0  2  0  0
 28 31  1  6  2  0  0
 29 32  1  1  0  0  0
 33 32  1  6  0  0  0
 33 34  1  0  1  0  0
 33 35  1  0  1  0  0
 34 36  1  0  1  0  0
 35 37  1  1  0  0  0
 35 38  1  0  1  0  0
 36 39  1  0  1  0  0
 36 40  1  6  0  0  0
 38 41  1  6  0  0  0
 39 42  1  6  0  0  0
 40 43  1  0  0  0  0
  6 10  1  0  1  0  0
 16 19  1  0  2  0  0
 18 22  1  0  2  0  0
 28 29  1  0  2  0  0
 30 31  1  0  2  0  0
 38 39  1  0  1  0  0
M  END

2D Structure

Agarose

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Chemical Name - Agarose
Mol Weight - 630.547
Smiles - OC[C@H]([C@@H]([C@@H]([C@H]1O)O)O)O[C@H]1O[C@H]1[C@H]([C@@H]2O)OC[C@@H]1O[C@H]2O[C@@H]([C@H]([C@@H](CO)O[C@H]1O[C@H]2[C@H]([C@@H]3O)OC[C@@H]2O[C@H]3O)O)[C@H]1O

Property Name	Property Value
Mol Name	Agarose
Molweight	630.547
Monoisotopic Mass	630.200735
Clogp	-6.8395
Clogs	0.189
H Acceptors	19
H Donors	10
Total Surface Area	391.04
Relative Psa	0.56516
Polar Surface Area	285.37
Druglikeness	-4.6238
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.46512
Molecular Flexibility	0.24702
Molecular Complexity	1.0055
Fragments	1
Non H Atoms	43
Non Ch Atoms	19
Electronegative Atoms	19
Stereo Centers	20
Rotatable Bonds	8
Rings Closures	6
Small Rings	8
Sp3 Atoms	43
Smiles	OC[C@H]([C@@H]([C@@H]([C@H]1O)O)O)O[C@H]1O[C@H]1[C@H]([C@@H]2O)OC[C@@H]1O[C@H]2O[C@@H]([C@H]([C@@H](CO)O[C@H]1O[C@H]2[C@H]([C@@H]3O)OC[C@@H]2O[C@H]3O)O)[C@H]1O
InChIKey	InChI=1S/C24H38O19/c25-1-5-9(27)11(29)12(30)22(38-5)41-17-8-4-36-20(17)15(33)24(40-8)43-18-10(28)6(2-26)39-23(14(18)32)42-16-7-3-35-19(16)13(31)21(34)37-7/h5-34H,1-4H2/t5-,6-,7+,8+,9-,10-,11-,12-,13+,
InChI	MJQHZNBUODTQTK-APYYUYLPSA-N

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1 — Agarose | 2 — Agarose