7-[6-[[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-(2,3-dihydroxy-3-methylbutyl)chromen-2-one
Basic information
- CAS
155740-16-2- Standard SMILES
CC(C)(O)C(O)Cc1cc2ccc(=O)oc2cc1OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O- InChIKey
DVLIAXKBIVLBKD-UHFFFAOYSA-N- Molecular formula
- C25H34O14
- Average molar mass
- 558.5 g/mol
- Monoisotopic mass
- 558.19485575
Overview
See also: Peujaponiside (annotation moved to).
Names & identifiers
- Preferred name
- 7-[6-[[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-(2,3-dihydroxy-3-methylbutyl)chromen-2-one
- IUPAC
- 7-[6-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-(2,3-dihydroxy-3-methylbutyl)chromen-2-one
- English name
- peujaponiside
- Molecular formula
- C25H34O14
- Molecular weight
- 558.53
Names & synonyms
Peujaponiside155740-16-2Peucedanol 7-O-beta-D-apiofuranosyl-(1-6)-beta-D-glucopyranoside7-[6-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-(2,3-dihydroxy-3-methylbutyl)chromen-2-oneorb2279364DTXSID00935282AKOS040735698T1257352H-1-Benzopyran-2-one, 7-((6-O-D-apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy)-6-(2,3-dihydroxy-3-methylbutyl)-, (R)-6-(2,3-Dihydroxy-3-methylbutyl)-2-oxo-2H-1-benzopyran-7-yl 6-O-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]hexopyranoside2H-1-Benzopyran-2-one, 7-[(6-O-D-apio-β-D-furanosyl-β-D-glucopyranosyl)oxy]-6-[(2R)-2,3-dihydroxy-3-methylbutyl]-
Database identifiers
- CAS
155740-16-2- PubChem CID
- 197658
- DTXSID
DTXSID00935282
Properties
Computed structural properties
- XLogP
- -2.4
- Topological polar surface area
- 225 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 9
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 883
Physicochemical properties
- Boiling point
- 902 · 902.0±65.0 °C(Predicted)
- Density
- 1.61 · 1.61±0.1 g/cm3(Predicted)
- pka
- 12.7 · 12.70±0.70(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…