Summary

IMPPAT Phytochemical identifier: IMPHY003511

Phytochemical name: Vicianose

Synonymous chemical names:
vicianose

External chemical identifiers:
CID:439537, ChEBI:16177, SureChEMBL:SCHEMBL207105

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Chemical structure information

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

InChI:
InChI=1S/C11H20O10/c12-3-1-19-11(9(17)5(3)13)20-2-4-6(14)7(15)8(16)10(18)21-4/h3-18H,1-2H2/t3-,4+,5-,6+,7-,8+,9+,10?,11-/m0/s1

InChIKey:
QYNRIDLOTGRNML-ULAALWPKSA-N

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

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC(COC2CCCCO2)OC1

Scaffold Graph/Node level:
C1CCC(COC2CCCCO2)OC1

Scaffold Graph level:
C1CCC(CCC2CCCCC2)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

NP-Likeness score: 2.453

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Chemical structure download