Summary

IMPPAT Phytochemical identifier: IMPHY009917

Phytochemical name: (+)-Methyl pachybioside

Synonymous chemical names:
(+)-methylpachybioside

External chemical identifiers:
CID:22214415

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Chemical structure information

SMILES:
COC1C[C@@H](OC)[C@@H]([C@H](O1)C)O[C@@H]1O[C@H](C)[C@H]([C@H]([C@H]1O)OC)O

InChI:
InChI=1S/C15H28O8/c1-7-11(16)14(20-5)12(17)15(22-7)23-13-8(2)21-10(19-4)6-9(13)18-3/h7-17H,6H2,1-5H3/t7-,8-,9-,10?,11-,12-,13-,14-,15+/m1/s1

InChIKey:
SXIOJEVKCQPWHX-WCIVGZCXSA-N

DeepSMILES:
COCC[C@@H]OC))[C@@H][C@H]O6)C))O[C@@H]O[C@H]C)[C@H][C@H][C@H]6O))OC)))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC(OC2CCCOC2)OC1

Scaffold Graph/Node level:
C1CCC(OC2CCCOC2)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 Classifier Biosynthetic pathway: Carbohydrates

NP-Likeness score: 2.673

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Chemical structure download