Summary

IMPPAT Phytochemical identifier: IMPHY013951

Phytochemical name: Amylopectin

Synonymous chemical names:
amylopectin

External chemical identifiers:
CID:439207, ZINC:ZINC000245224428, SureChEMBL:SCHEMBL2046142

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Chemical structure information

SMILES:
OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[C@@H]3[C@@H](CO)O[C@@H]([C@@H]([C@H]3O)O)O)[C@@H]([C@H]([C@@H]2O[C@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)O)O)[C@@H]([C@H]([C@@H]1O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)O

InChI:
InChI=1S/C30H52O26/c31-1-6-11(35)13(37)19(43)28(50-6)55-24-9(4-34)52-27(21(45)16(24)40)48-5-10-25(56-29-20(44)14(38)12(36)7(2-32)51-29)17(41)22(46)30(53-10)54-23-8(3-33)49-26(47)18(42)15(23)39/h6-47H,1-5H2/t6-,7-,8-,9-,10-,11-,12-,13+,14+,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26+,27+,28-,29-,30-/m1/s1

InChIKey:
WMGFVAGNIYUEEP-WUYNJSITSA-N

DeepSMILES:
OC[C@H]O[C@H]OC[C@H]O[C@H]O[C@@H][C@@H]CO))O[C@@H][C@@H][C@H]6O))O))O))))))[C@@H][C@H][C@@H]6O[C@H]O[C@H]CO))[C@H][C@@H][C@H]6O))O))O)))))))O))O)))))))[C@@H][C@H][C@@H]6O[C@H]O[C@H]CO))[C@H][C@@H][C@H]6O))O))O)))))))O))O

Functional groups:
CO, CO[C@@H](C)O, CO[C@H](C)OC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC(OC2CCC(OCC3OC(OC4CCCOC4)CCC3OC3CCCCO3)OC2)OC1

Scaffold Graph/Node level:
C1CCC(OC2CCC(OCC3OC(OC4CCCOC4)CCC3OC3CCCCO3)OC2)OC1

Scaffold Graph level:
C1CCC(CC2CCC(CCC3CC(CC4CCCCC4)CCC3CC3CCCCC3)CC2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbohydrates and carbohydrate conjugates

NP Classifier Biosynthetic pathway: Carbohydrates

NP Classifier Superclass: Saccharides

NP Classifier Class: Polysaccharides

NP-Likeness score: 1.162

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Chemical structure download