Myricetin 3-O-α-L-rhamnopyranoside

Myricetin 3-O-α-L-rhamnopyranoside
Compound Structure:
Synonyms: 5,7-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one; Myricetin 3-rhamnoside; Rhamnoside, myricetin-3; Myricetin 3-O-L-rhamnoside; Myricetin 3-O-.alpha.-L-rhamnopyranoside; Myricitrin (8CI)
Compound ID: NMPC-1278
PubChem ID:

5352000
Molecular Formula: C21H20O12
Canonical SMILES: CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C(=C4)O)O)O)O)O)O
InChIKey: DCYOADKBABEMIQ-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

464.4 g/mol

XLogP3-AA

0.5

Hydrogen Bond Donor Count

8

Hydrogen Bond Acceptor Count

12

Rotatable Bond Count

3

Exact Mass

464.09547607 g/mol

Monoisotopic Mass

464.09547607 g/mol

Topological Polar Surface Area

207Ų

Heavy Atom Count

33

Formal Charge

0

Complexity

760

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

5

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Physical Description

Solid

Melting Point

194 - 197 °C

Source: PubChem                        
Source Species: Mimosa pigra
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