Kaempferide-3-O-ß-glucoside

Kaempferide-3-O-ß-glucoside
Compound Structure:
Synonyms: 5,7-dihydroxy-2-(4-methoxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one; kaempferide 3-O-glucoside
Compound ID: NMPC-1170
PubChem ID:

90659152
Molecular Formula: C22H22O11
Canonical SMILES: COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O
InChIKey: MQVRGDZCYDEQML-LFXZADKFSA-N
About the compound:
Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

462.4 g/mol

XLogP3-AA

1

Hydrogen Bond Donor Count

6

Hydrogen Bond Acceptor Count

11

Rotatable Bond Count

5

Exact Mass

462.11621151 g/mol

Monoisotopic Mass

462.11621151 g/mol

Topological Polar Surface Area

175Ų

Heavy Atom Count

33

Formal Charge

0

Complexity

734

Isotope Atom Count

0

Defined Atom Stereocenter Count

5

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: Bridelia ferruginea.
Holarrhena floribunda
Bauhinia tomentosa.
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