Summary

IMPPAT Phytochemical identifier: IMPHY014244

Phytochemical name: 6-O-(alpha-L-Rhamnopyranosyl)-D-glucopyranose

Synonymous chemical names:
rutinoside

External chemical identifiers:
CID:12314995, ChEBI:61606, SureChEMBL:SCHEMBL15956048

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Chemical structure information

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

InChI:
InChI=1S/C12H22O10/c1-3-5(13)7(15)10(18)12(21-3)20-2-4-6(14)8(16)9(17)11(19)22-4/h3-19H,2H2,1H3/t3-,4+,5-,6+,7+,8-,9+,10+,11?,12+/m0/s1

InChIKey:
OVVGHDNPYGTYIT-ROUHPGRKSA-N

DeepSMILES:
C[C@@H]O[C@@H]OC[C@H]OCO)[C@@H][C@H][C@@H]6O))O))O)))))))[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: 2.391

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Chemical structure download