Kampf-3-O-rhamnoglucoside

Compound Structure:

Synonyms:

2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one; quercetin 3-O-rhamnoside-7-O-glucoside

Compound ID:

NMPC-1179

PubChem ID:

25245356

Molecular Formula:

C27H30O16

Canonical SMILES:

CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)CO)O)O)O)C5=CC(=C(C=C5)O)O)O)O)O

InChIKey:

MCTZMXCUYPDYNE-KUKMIBIMSA-N

About the compound:

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	610.5 g/mol
XLogP3-AA	-0.9
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	9
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Source: PubChem

Source Species:

Landolphia owariensis

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