Basic information
- CAS
37484-74-5- Standard SMILES
O=C(Oc1cc(O)cc2c1CC(OC(=O)c1cc(O)c(O)c(O)c1)C(c1ccc(O)c(O)c1)O2)c1cc(O)c(O)c(O)c1- InChIKey
RHDJFGKNTUPFEZ-UHFFFAOYSA-N- Molecular formula
- C29H22O14
- Average molar mass
- 594.5 g/mol
- Monoisotopic mass
- 594.10095538
Names & identifiers
- Preferred name
- 3,5-Digalloylepicatechin
- IUPAC
- [2-(3,4-dihydroxyphenyl)-7-hydroxy-5-(3,4,5-trihydroxybenzoyl)oxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
Names & synonyms
3,5-DigalloylepicatechinSCHEMBL2464467
Database identifiers
- CAS
37484-74-5- Nikkaji
- J2.399.781I
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 244 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 7
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 957
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…