Summary

IMPPAT Phytochemical identifier: IMPHY014538

Phytochemical name: 6-o-beta-d-Xylopyranosyl-beta-d-glucopyranoside

Synonymous chemical names:
6-o-β-d-xylopyranosyl-β-d-glucopyranoside

External chemical identifiers:
CID:101258175

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Chemical structure information

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

InChI:
InChI=1S/C11H19O10/c12-3-1-19-11(9(17)5(3)13)20-2-4-6(14)7(15)8(16)10(18)21-4/h3-17H,1-2H2/q-1/t3-,4-,5+,6-,7+,8-,9-,10-,11+/m1/s1

InChIKey:
YBSCVLRCDBYLGD-IGQSMMPPSA-N

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

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

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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: 1.879

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Chemical structure download