Kaempferol 3-O-α-rhamnopyranosyl(1→6)-α-rhamnopyranosyl(1→2)-β-D-galactopyranoside

Kaempferol 3-O-α-rhamnopyranosyl(1→6)-α-rhamnopyranosyl(1→2)-β-D-galactopyranoside
Compound Structure:
Synonyms: 3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Compound ID: NMPC-1173
PubChem ID:

10919756
Molecular Formula: C33H40O20
Canonical SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3C(C(C(OC3OC4=C(OC5=CC(=CC(=C5C4=O)O)O)C6=CC=C(C=C6)O)CO)O)O)O)O)O)O)O)O
InChIKey: DCHRRURXMLCREO-CFRIXVKNSA-N
About the compound:
Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

756.7 g/mol

XLogP3-AA

-2.5

Hydrogen Bond Donor Count

12

Hydrogen Bond Acceptor Count

20

Rotatable Bond Count

9

Exact Mass

756.21129366 g/mol

Monoisotopic Mass

756.21129366 g/mol

Topological Polar Surface Area

324Ų

Heavy Atom Count

53

Formal Charge

0

Complexity

1280

Isotope Atom Count

0

Defined Atom Stereocenter Count

15

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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