Haploperozide

HCID 20105835

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Basic information

Standard SMILES: COc1cc2ccc(=O)oc2cc1OC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O)C1OC1OC(C)C(O)C(O)C1O
InChIKey: LLQBCHODNVGKSF-UHFFFAOYSA-N
Molecular formula: C28H38O17
Average molar mass: 646.6 g/mol
Monoisotopic mass: 646.21089974

Overview

Haploperozide has been reported in Haplophyllum acutifolium with data available.

Names & identifiers

Preferred name: Haploperozide
IUPAC: 7-[4,5-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-6-methoxychromen-2-one

Names & synonyms

Haploperozidethoxychromen-2-oneDTXSID601363502AKOS004110727ST0770797-{4,5-dihydroxy-3-(3,4,5-trihydroxy-6-methyl(2H-3,4,5,6-tetrahydropyran-2-ylo xy))-6-[(3,4,5-trihydroxy-6-methyl(2H-3,4,5,6-tetrahydropyran-2-yloxy))methyl] (2H-3,4,5,6-tetrahydropyran-2-yl)oxy}-6-me

Database identifiers

PubChem CID: 20105835
DTXSID: DTXSID601363502

Properties

Computed structural properties

XLogP: -3
Topological polar surface area: 253 Å²
Hydrogen bond donors: 8
Hydrogen bond acceptors: 17
Rotatable bonds: 8
Heavy atoms: 45
Formal charge: 0
Complexity: 1,030

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