Summary

IMPPAT Phytochemical identifier: IMPHY012288

Phytochemical name: 2-O-beta-D-Glucopyranosyl-D-glucose

Synonymous chemical names:
sophorose

External chemical identifiers:
CID:92797, ZINC:ZINC000013522851, FDASRS:ZHQ3C30OP1, SureChEMBL:SCHEMBL1973631

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Chemical structure information

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

InChI:
InChI=1S/C12H22O11/c13-1-4(16)7(17)8(18)5(2-14)22-12-11(21)10(20)9(19)6(3-15)23-12/h2,4-13,15-21H,1,3H2/t4-,5+,6-,7-,8-,9-,10+,11-,12-/m1/s1

InChIKey:
PZDOWFGHCNHPQD-VNNZMYODSA-N

DeepSMILES:
O=C[C@@H][C@H][C@@H][C@@H]CO))O))O))O))O[C@@H]O[C@H]CO))[C@H][C@@H][C@H]6O))O))O

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

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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: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty acyl glycosides

NP Classifier Biosynthetic pathway: Carbohydrates

NP Classifier Superclass: Saccharides

NP Classifier Class: Disaccharides

NP-Likeness score: 2.191

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Chemical structure download