Summary

IMPPAT Phytochemical identifier: IMPHY000183

Phytochemical name: Cellobioside

Synonymous chemical names:
cellobioside

External chemical identifiers:
CID:102242608

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Chemical structure information

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

InChI:
InChI=1S/C14H26O10/c1-22-14-13(21)9(17)5(7(3-15)24-14)2-6-10(18)12(20)11(19)8(4-16)23-6/h5-21H,2-4H2,1H3/t5-,6+,7-,8-,9+,10+,11-,12-,13-,14-/m1/s1

InChIKey:
DVUBRIJBGLANPZ-VOMQWEQLSA-N

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

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC(CC2CCCOC2)OC1

Scaffold Graph/Node level:
C1CCC(CC2CCCOC2)OC1

Scaffold Graph level:
C1CCC(CC2CCCCC2)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-Likeness score: 1.974

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Chemical structure download