Tricin-7-O-neohesperidoside

Tricin-7-O-neohesperidoside
Compound Structure:
Synonyms: Tricin 7-neohesperidoside ;Flavone base + 3O, 2MeO, O-Hex-dHex
Compound ID: NMPC-1565
PubChem ID:

74977750
Molecular Formula: C29H34O16
Canonical SMILES: CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C(=C5)OC)O)OC)O)CO)O)O)O)O)O
InChIKey: AIBMPOJXBGZIPQ-UHFFFAOYSA-N
About the compound:
Properties:

Computed Properties

Property Name

Property Value

Molecular Weight

638.6 g/mol

XLogP3-AA

-0.3

Hydrogen Bond Donor Count

8

Hydrogen Bond Acceptor Count

16

Rotatable Bond Count

8

Exact Mass

638.18468499 g/mol

Monoisotopic Mass

638.18468499 g/mol

Topological Polar Surface Area

244Ų

Heavy Atom Count

45

Formal Charge

0

Complexity

1030

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

10

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source:PubChem
Source Species: Saccharum officinarum
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