2',4,4'-Trihydroxy-6'-methoxychalcone 4'-beta-D-glucopyranoside
Basic information
- CAS
61826-89-9- Standard SMILES
COc1cc(OC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c1C(=O)/C=C/c1ccc(O)cc1- InChIKey
VMXQTEKZPPIWMS-XBRGFQPOSA-N- Molecular formula
- C22H24O10
- Average molar mass
- 448.4 g/mol
- Monoisotopic mass
- 448.13694696
Names & identifiers
- Preferred name
- 2',4,4'-Trihydroxy-6'-methoxychalcone 4'-beta-D-glucopyranoside
- IUPAC
- (E)-1-[2-hydroxy-6-methoxy-4-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
Names & synonyms
61826-89-92',4,4'-Trihydroxy-6'-methoxychalcone 4'-beta-D-glucopyranoside1-(4-(D-Glucopyranosyloxy)-2-hydroxy-6-methoxyphenyl)-3-(4-hydroxyphenyl)-2-propen-1-oneRefChem:80135(E)-1-[2-hydroxy-6-methoxy-4-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-oneSCHEMBL30382764
Database identifiers
- CAS
61826-89-9- PubChem CID
- 6443577
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 166 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 634
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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