Molecule

Gynocardin

AlkaPlorer ID: AK299809

Synonym: 1-(β-D-Glucopyranosyloxy)-4,5-dihydroxy-2-cyclopentene-1-carbonitrile

IUPAC Name: 4,5-dihydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclopent-2-ene-1-carbonitrile

SMILES: N#CC1(OC2OC(CO)C(O)C(O)C2O)C=CC(O)C1O

InChI: InChI=1S/C12H17NO8/c13-4-12(2-1-5(15)10(12)19)21-11-9(18)8(17)7(16)6(3-14)20-11/h1-2,5-11,14-19H,3H2

InChIKey: HASDUOHKNMHNJA-UHFFFAOYSA-N

PubChem CID: 122812

LOTUS: LTS0227273

COCONUT: CNP0314593.2

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Passiflora	Passifloraceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Baileyoxylon lanceolatum	Baileyoxylon	Achariaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Pangium edule	Pangium	Achariaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Gynocardia odorata	Gynocardia	Achariaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 303.26700000000005

TPSA？: 163.63

MolLogP？: -3.64312

Number of H-Donors: 6

Number of H-Acceptors: 9

RingCount: 2

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi