Molecule

gynocardin

AlkaPlorer ID: AK318992

Synonym: None

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

SMILES: N#C[C@@]1(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C[C@H](O)[C@H]1O

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/t5-,6+,7+,8-,9+,10+,11-,12-/m0/s1

InChIKey: HASDUOHKNMHNJA-WTGJLRKRSA-N

PubChem CID: 13942401

LOTUS: LTS0189778

NPASS: NPC196991

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Verbascum songaricum	Verbascum	Scrophulariaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Talinum fruticosum	Talinum	Talinaceae	Caryophyllales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Lindelofia olgae	Lindelofia	Boraginaceae	Boraginales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Dioscorea mexicana	Dioscorea	Dioscoreaceae	Dioscoreales	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