Molecule

(2S,3R,4S,5S,6R)-2-[4-(2-nitroethyl)phenoxy]-6-({[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxane-3,4,5-triol

AlkaPlorer ID: AK319697

Synonym: None

IUPAC Name: (2S,3R,4S,5S,6R)-2-[4-(2-nitroethyl)phenoxy]-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol

Structure

SMILES: O=[N+]([O-])CCC1=CC=C(O[C@@H]2O[C@H](CO[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)C=C1

InChI: InChI=1S/C19H27NO12/c21-11-7-29-18(16(25)13(11)22)30-8-12-14(23)15(24)17(26)19(32-12)31-10-3-1-9(2-4-10)5-6-20(27)28/h1-4,11-19,21-26H,5-8H2/t11-,12+,13-,14+,15-,16+,17+,18-,19+/m0/s1

InChIKey: ZHVLPKFAODFQST-UUOPEYFDSA-N

Reference

Absolute Stereostructures of Trifoliones A, B, C, and D, New Biologically Active Diterpenes from the Tuber of Sagittaria trifolia L.

PubChem CID: 10718822

LOTUS: LTS0113125

SuperNatural Ⅲ: SN0470782-02

NPASS: NPC286921

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Duroia hirsuta	Duroia	Rubiaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Knema furfuracea	Knema	Myristicaceae	Magnoliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Graphium sarpedon	Graphium	Papilionidae	Lepidoptera	Insecta	Arthropoda	Metazoa	Eukaryota

Properties Information

Molecule Weight: 461.42

TPSA？: 201.44

MolLogP？: -2.852199999999997

Number of H-Donors: 6

Number of H-Acceptors: 12

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi