Baicalin
(2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
| Molecular Formula | C21H18O11 |
|---|---|
| Molecular Weight | 446.4 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 183.0 A2 |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 446.0849 |
| Heavy Atoms | 32 |
| Complexity | 748.0 |
Chemical Identifiers
| CAS Number | 21967-41-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O |
| InChIKey | IKIIZLYTISPENI-ZFORQUDYSA-N |
📖 Product Overview
Baicalin (CAS: 21967-41-9) is a chemical compound with molecular formula C21H18O11 and molecular weight 446.4 g/mol. Its IUPAC systematic name is (2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid.
IKIIZLYTISPENI-ZFORQUDYSA-N.
SMILES: C1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O.
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