Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID005645

Phytochemical name: Salidroside

Synonymous chemical names:
4-hydroxyphenyl-2-ethyl-beta-d-glucoside, Salidroside, rhodioloside, Rhodioloside, salidroside

External chemical identifiers:
CID:CID_159278, ChEMBL:CHEMBL465208, ChEBI:CHEBI:9009, ZINC:ZINC000006092865, FDASRS:M983H6N1S9, SureChEMBL:SCHEMBL148079, MolPort-001-740-649

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Chemical structure information

SMILES:
OC[C@H]1O[C@@H](OCCc2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O

InChI:
InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1

InChIKey:
ILRCGYURZSFMEG-RKQHYHRCSA-N

DeepSMILES:
OC[C@H]O[C@@H]OCCcccccc6))O))))))))[C@@H][C@H][C@@H]6O))O))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(CCOC2CCCCO2)cc1

Scaffold Graph/Node level:
C1CCC(CCOC2CCCCO2)CC1

Scaffold Graph level:
C1CCC(CCCC2CCCCC2)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: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenylethanoids (C6-C2)

NP Classifier Class: Phenylethanoids

NP-Likeness score: 1.913

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Chemical structure download