Scandoside methyl ester

Scandoside methyl ester
Compound Structure:
Synonyms: Feretoside ;Scandoside methyl ester ;27530-67-2 ;Scandioside methyl ester ;CHEBI:9046
Compound ID: NMPC-1470
PubChem ID:

442433
Molecular Formula: C17H24O11
Canonical SMILES: COC(=O)C1=COC(C2C1C(C=C2CO)O)OC3C(C(C(C(O3)CO)O)O)O
InChIKey: WSGPLSDARZNMCW-LPGRTNKPSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

404.4 g/mol

XLogP3-AA

-3.5

Hydrogen Bond Donor Count

6

Hydrogen Bond Acceptor Count

11

Rotatable Bond Count

6

Exact Mass

404.13186158 g/mol

Monoisotopic Mass

404.13186158 g/mol

Topological Polar Surface Area

175Ų

Heavy Atom Count

28

Formal Charge

0

Complexity

647

Isotope Atom Count

0

Defined Atom Stereocenter Count

9

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: Borreria verticillata.
Download SDF