Gallocatechin

Compound Structure:

Synonyms:

(2R,3S)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol; (+)-Gallocatechin; (+)-gallocatechol ; (+)-trans-3,3',4',5,5',7-Hexahydroxyflavan; (2R*,3S*)- 3,4-dihydro-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3,5,7-triol

Compound ID:

NMPC-1064

PubChem ID:

65084

Molecular Formula:

C15H14O7

Canonical SMILES:

C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O

InChIKey:

XMOCLSLCDHWDHP-SWLSCSKDSA-N

About the compound:

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	306.27 g/mol
XLogP3	0
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	1
Exact Mass	306.07395278 g/mol
Monoisotopic Mass	306.07395278 g/mol
Topological Polar Surface Area	131Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	380
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes
Physical Description	Solid
Melting Point	189 - 191 °C

Source: PubChem

Source Species:

Talinum triangulare

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