Basic information
- CAS
207461-10-7- Standard SMILES
O=c1cc(-c2ccc(O)cc2)oc2c(C3OCC(O)C(O)C3O)c(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c12- InChIKey
MMDUKUSNQNWVET-UHFFFAOYSA-N- Molecular formula
- C26H28O14
- Average molar mass
- 564.5 g/mol
- Monoisotopic mass
- 564.14790556
Overview
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]-8-(3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)-4H-chromen-4-one is a C-glycosyl compound and a member of flavonoids.
Names & identifiers
- Preferred name
- 5,7-Dihydroxy-2-(4-Hydroxyphenyl)-6-(3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl)-8-(3,4,5-Trihydroxyoxan-2-Yl)Chromen-4-One
- IUPAC
- 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-(3,4,5-trihydroxyoxan-2-yl)chromen-4-one
Names & synonyms
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-(3,4,5-trihydroxyoxan-2-yl)chromen-4-one5,7-Dihydroxy-2-(4-Hydroxyphenyl)-6-(3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl)-8-(3,4,5-Trihydroxyoxan-2-Yl)Chromen-4-OneRefChem:101345207461-10-7Schaftoside [M+H]+Compound NP-000004MLS000876755MEGxp0_000003orb3172790CHEMBL1537012ACon1_001811CHEBI:139467
Show more names
HMS2271I13s9234AKOS040740192NCGC00180115-01FV145283SMR000440577NS000975426-b-D-Glucopyranosyl-8-b-D-ribopyranosylapigenin
Database identifiers
- CAS
207461-10-7- PubChem CID
- 3550102
- ChEMBL
CHEMBL1537012- ChEBI
CHEBI:139467
Properties
Computed structural properties
- XLogP
- -2.2
- Topological polar surface area
- 247 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 4
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 938
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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