Summary

IMPPAT Phytochemical identifier: IMPHY002639

Phytochemical name: Strophanthobiose

Synonymous chemical names:
strophanthobiose

External chemical identifiers:
CID:14236734, FDASRS:42HVE7925J

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Chemical structure information

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

InChI:
InChI=1S/C13H24O9/c1-6(16)12(7(20-2)3-4-14)22-13-11(19)10(18)9(17)8(5-15)21-13/h4,6-13,15-19H,3,5H2,1-2H3/t6-,7+,8-,9-,10+,11-,12-,13+/m1/s1

InChIKey:
DTSRDSSUHQPLEH-IYLKWMOSSA-N

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

Functional groups:
CC=O, CO, 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: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty acyl glycosides

NP Classifier Biosynthetic pathway: Carbohydrates

NP-Likeness score: 2.306

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Chemical structure download