Quercetin robinobioside

Compound Structure:

Synonyms:

Quercetin 3-O-robinobioside; 52525-35-6; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one ;Quercetin3-O-robinobioside quercetin-3-O-robi

Compound ID:

NMPC-1445

PubChem ID:

10371536

Molecular Formula:

C27H30O16

Canonical SMILES:

CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O

InChIKey:

IKGXIBQEEMLURG-IEBISRBZSA-N

About the compound:

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	610.5 g/mol
XLogP3-AA	-1.3
Hydrogen Bond Donor Count	10
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	6
Exact Mass	610.15338487 g/mol
Monoisotopic Mass	610.15338487 g/mol
Topological Polar Surface Area	266Å²
Heavy Atom Count	43
Formal Charge	0
Complexity	1020
Isotope Atom Count	0
Defined Atom Stereocenter Count	10
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Source: PubChem

Source Species:

Alstonia boonei

Download SDF