Molecule

rhodiocyanoside A

AlkaPlorer ID: AK045341

Synonym: 'Rhodiocyanoside A', '', 'Multifidin', '(2Z)-2-methyl-4-{(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy}but-2-enenitrile'

IUPAC Name: (E)-2-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-2-enenitrile

Structure

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

InChI: InChI=1S/C11H17NO6/c1-6(4-12)2-3-17-11-10(16)9(15)8(14)7(5-13)18-11/h2,7-11,13-16H,3,5H2,1H3/b6-2+/t7-,8-,9+,10-,11-/m1/s1

InChIKey: ZMELGIPFIBWPHX-ZCIPGPJXSA-N

Reference

Bioactive Constituents from Chinese Natural Medicines. XXVI. Chemical Structures and Hepatoprotective Effects of Constituents from Roots of Rhodiola sachalinensis

PubChem CID: 101514480

LOTUS: LTS0107982

NPASS: NPC160165

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Rhodiola crenulata	Rhodiola	Crassulaceae	Saxifragales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 259.258

TPSA？: 123.17000000000002

MolLogP？: -1.7272200000000006

Number of H-Donors: 4

Number of H-Acceptors: 7

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi