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2D Structure

Stachyose


  • SKU Code: CH138263
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Chemical Name - Stachyose
Mol Weight - 666.576
Smiles - OC[C@H]([C@H]([C@@H]1O)O)O[C@@]1(CO)O[C@H]([C@@H]([C@H]1O)O)O[C@H](CO[C@H]([C@@H]([C@H]2O)O)O[C@H](CO[C@H]([C@@H]([C@H]3O)O)O[C@H](CO)[C@@H]3O)[C@@H]2O)[C@H]1O
Property Name Property Value
Mol NameStachyose
Molweight666.576
Monoisotopic Mass666.221865
Clogp-8.2844
Clogs1.282
H Acceptors21
H Donors14
Total Surface Area422.61
Relative Psa0.59961
Polar Surface Area347.83
Druglikeness-6.7861
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Shape Index0.46667
Molecular Flexibility0.43763
Molecular Complexity0.96969
Fragments1
Non H Atoms45
Non Ch Atoms21
Electronegative Atoms21
Stereo Centers19
Rotatable Bonds11
Rings Closures4
Small Rings4
Sp3 Atoms45
SmilesOC[C@H]([C@H]([C@@H]1O)O)O[C@@]1(CO)O[C@H]([C@@H]([C@H]1O)O)O[C@H](CO[C@H]([C@@H]([C@H]2O)O)O[C@H](CO[C@H]([C@@H]([C@H]3O)O)O[C@H](CO)[C@@H]3O)[C@@H]2O)[C@H]1O
InChIKeyInChI=1S/C24H42O21/c25-1-6-10(28)14(32)17(35)21(41-6)39-3-8-11(29)15(33)18(36)22(42-8)40-4-9-12(30)16(34)19(37)23(43-9)45-24(5-27)20(38)13(31)7(2-26)44-24/h6-23,25-38H,1-5H2/t6-,7+,8-,9-,10-,11-,12+,1
InChIUQZIYBXSHAGNOE-OKMWUNQPSA-N

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