Summary

IMPPAT Phytochemical identifier: IMPHY003421

Phytochemical name: Galactomannan

Synonymous chemical names:
alpha-d-galactopyranosyl-(1¡ú6)-[beta-d-mannopyranosyl-(1¡ú4)]-d-mannose, galactomannan

External chemical identifiers:
CID:439336, ZINC:ZINC000008216558, SureChEMBL:SCHEMBL19799345

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Chemical structure information

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

InChI:
InChI=1S/C18H32O16/c19-1-4-7(21)9(23)13(27)17(32-4)30-3-6-15(11(25)12(26)16(29)31-6)34-18-14(28)10(24)8(22)5(2-20)33-18/h4-29H,1-3H2/t4-,5-,6-,7+,8-,9+,10+,11-,12+,13-,14+,15-,16-,17+,18+/m1/s1

InChIKey:
OMDQUFIYNPYJFM-XKDAHURESA-N

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

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC(OCC2OCCCC2OC2CCCCO2)OC1

Scaffold Graph/Node level:
C1CCC(OCC2OCCCC2OC2CCCCO2)OC1

Scaffold Graph level:
C1CCC(CCC2CCCCC2CC2CCCCC2)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: Disaccharides, Polysaccharides

NP-Likeness score: 1.843

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Chemical structure download