Borreriagenin

Borreriagenin
Compound Structure:
Synonyms: Borreriagenin;249916-07-2;Morindacin;(3R,3aS,4S,6aR)-3,4,5-tris(hydroxymethyl)-3,3a,4,6a-tetrahydrocyclopenta[b]furan-2-one;CHEMBL509602;(3R,3aS,4S,6aR)-3,3a,4,6a-Tetrahydro-3,4,5-tris(hydroxymethyl)-2H-cyclopenta[b]furan-2-one; Borreriagenin
Compound ID: NMPC-685
PubChem ID:

44583980
Molecular Formula: C10H14O5
Canonical SMILES: C1=C(C(C2C1OC(=O)C2CO)CO)CO
InChIKey: MOUZVDVFZGJOOS-XGEHTFHBSA-N
About the compound:
Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

214.21 g/mol

XLogP3-AA

-1.5

Hydrogen Bond Donor Count

3

Hydrogen Bond Acceptor Count

5

Rotatable Bond Count

3

Exact Mass

214.08412354 g/mol

Monoisotopic Mass

214.08412354 g/mol

Topological Polar Surface Area

87Ų

Heavy Atom Count

15

Formal Charge

0

Complexity

298

Isotope Atom Count

0

Defined Atom Stereocenter Count

4

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Source: PubChem                                                                                             
Source Species: Borreria verticillata.
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