Summary

IMPPAT Phytochemical identifier: IMPHY013327

Phytochemical name: Methyl 2,3,4-tri-O-acetyl-6-O-methyl-alpha-D-galactopyranoside

Synonymous chemical names:
methyl-2,3,4-tri-o-acetyl-6-o-methyl-alpha-d-galactopyranoside

External chemical identifiers:
CID:22212972

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Chemical structure information

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

InChI:
InChI=1S/C14H22O9/c1-7(15)20-11-10(6-18-4)23-14(19-5)13(22-9(3)17)12(11)21-8(2)16/h10-14H,6H2,1-5H3/t10-,11+,12+,13-,14+/m1/s1

InChIKey:
HRFADBZDDVTPAQ-HTOAHKCRSA-N

DeepSMILES:
COC[C@H]O[C@H]OC))[C@@H][C@H][C@H]6OC=O)C))))OC=O)C))))OC=O)C

Functional groups:
CC(=O)OC, COC, 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: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbohydrates and carbohydrate conjugates

NP-Likeness score: 1.459

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Chemical structure download