Kaempferol 3-O-rutinoside

Kaempferol 3-O-rutinoside
Compound Structure:
Synonyms: 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromen-4-one; Nicotiflorin
Compound ID: NMPC-1172
PubChem ID:

5318767
Molecular Formula: C27H30O15
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
InChIKey: RTATXGUCZHCSNG-QHWHWDPRSA-N
About the compound:

Kaempferol-3-rutinoside is a kaempferol O-glucoside that is kaempferol attached to a rutinosyl [6-deoxy-alpha-L-mannosyl-(1->6)-beta-D-glucosyl] residue at position 3 via a glycosidic linkage. It has been isolated from the leaves of Solanumcampaniforme. It has a role as a metabolite, a radical scavenger and a plant metabolite. It is a rutinoside, a trihydroxyflavone, a disaccharide derivative and a kaempferol O-glucoside.

GHS Hazard Statements

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

594.5 g/mol

XLogP3-AA

-0.9

Hydrogen Bond Donor Count

9

Hydrogen Bond Acceptor Count

15

Rotatable Bond Count

6

Exact Mass

594.15847025 g/mol

Monoisotopic Mass

594.15847025 g/mol

Topological Polar Surface Area

245Ų

Heavy Atom Count

42

Formal Charge

0

Complexity

985

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: Cissus ibuensis
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