Summary

IMPPAT Phytochemical identifier: IMPHY005297

Phytochemical name: Osmanthuside H

Synonymous chemical names:
osmanthuside h

External chemical identifiers:
CID:192437, ZINC:ZINC000031154941, MolPort-001-740-211

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Chemical structure information

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

InChI:
InChI=1S/C19H28O11/c20-8-19(26)9-29-18(16(19)25)28-7-12-13(22)14(23)15(24)17(30-12)27-6-5-10-1-3-11(21)4-2-10/h1-4,12-18,20-26H,5-9H2/t12-,13-,14+,15-,16+,17-,18-,19-/m1/s1

InChIKey:
IVRQZYXJBVMHCW-OTCFHACESA-N

DeepSMILES:
OC[C@@]O)CO[C@H][C@@H]5O))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(CCOC2CCCC(COC3CCCO3)O2)cc1

Scaffold Graph/Node level:
C1CCC(CCOC2CCCC(COC3CCCO3)O2)CC1

Scaffold Graph level:
C1CCC(CCCC2CCCC(CCC3CCCC3)C2)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: 2.253

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Chemical structure download