Basic information
- Standard SMILES
Cc1[nH]nc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1Cc1ccc(C=C2CC2)cc1- InChIKey
MYVKFHBYTFOCKI-YRIDSSQKSA-N- Molecular formula
- C21H26N2O6
- Average molar mass
- 402.4 g/mol
Names & identifiers
- Preferred name
- 3-(beta-D-glucopyranosyloxy)-5-methyl-4-{[4-(cyclopropylidenemethyl)phenyl]methyl}-1H-pyrazole
- IUPAC
- (2S,3R,4S,5S,6R)-2-[[4-[[4-(cyclopropylidenemethyl)phenyl]methyl]-5-methyl-1H-pyrazol-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Names & synonyms
SCHEMBL4351208MYVKFHBYTFOCKI-YRIDSSQKSA-N3-(beta-D-glucopyranosyloxy)-5-methyl-4-{[4-(cyclopropylidene-methyl)phenyl]methyl}-1H-pyrazole3-(beta-D-glucopyranosyloxy)-5-methyl-4-{[4-(cyclopropylidenemethyl)phenyl]methyl}-1H-pyrazole
Database identifiers
- PubChem CID
- 9844053
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 576
Related reactions
2 records
Compound notes
Loading…