Summary

IMPPAT Phytochemical identifier: IMPHY010274

Phytochemical name: D-Digitoxose

Synonymous chemical names:
digitoxose

External chemical identifiers:
CID:2723626, SureChEMBL:SCHEMBL2461505

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Chemical structure information

SMILES:
OC1C[C@H](O)[C@@H]([C@H](O1)C)O

InChI:
InChI=1S/C6H12O4/c1-3-6(9)4(7)2-5(8)10-3/h3-9H,2H2,1H3/t3-,4+,5?,6-/m1/s1

InChIKey:
FDWRIIDFYSUTDP-WGDKFINWSA-N

DeepSMILES:
OCC[C@H]O)[C@@H][C@H]O6)C))O

Functional groups:
CC(O)OC, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCOCC1

Scaffold Graph/Node level:
C1CCOCC1

Scaffold Graph level:
C1CCCCC1

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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: Monosaccharides

NP-Likeness score: 2.831

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Chemical structure download