1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(4-hydroxy-3-methoxyphenyl)-7-methoxychromenylium-3,5-diol

2.1.2 InChI

InChI=1S/C17H14O6/c1-21-10-6-13(19)11-8-14(20)17(23-15(11)7-10)9-3-4-12(18)16(5-9)22-2/h3-8H,1-2H3,(H2-,18,19,20)/p+1

2.1.3 InChI Key

GNONHFYAESLOCB-UHFFFAOYSA-O

2.1.4 Canonical SMILES

COC1=CC(=C2C=C(C(=[O+]C2=C1)C3=CC(=C(C=C3)O)OC)O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 4092-64-2

2. C08729

3. Chebi:8893

4. Dtxsid80331627

5. Lmpk12010417

6. Q6112585

7. 3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-1-benzopyran-1-ium

2.3 Create Date

2005-06-24

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₁₅O₆+
Molecular Weight	315.30 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	315.08686319 g/mol
Monoisotopic Mass	315.08686319 g/mol
Topological Polar Surface Area	80.2 Å²
Heavy Atom Count	23
Formal Charge	1
Complexity	391
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

Rosinidin