2-Hydroxy-2-(3-hydroxyphenyl)acetic acid; (S)-form, Nitrile, 2-O-[β-D-glucopyranosyl(1→4)-3,4-dihydroxycinnamoyl(→5)-β-D-apiofuranosyl(1→4)-β-D-xylopyranosyl-(1→6)-β-D-glucopyranoside]
AlkaPlorer ID: AK301239
Synonym: Xeranthin
IUPAC Name: None
Structure
SMILES: N#CC(OC1OC(COC2OCC(OC3OCC(O)(COC(=O)/C=C\C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C(O)=C4)C3O)C(O)C2O)C(O)C(O)C1O)C1=CC=CC(O)=C1
InChI: InChI=1S/C39H49NO23/c40-10-21(17-2-1-3-18(42)9-17)60-37-33(52)30(49)27(46)23(62-37)12-55-35-31(50)28(47)24(13-56-35)63-38-34(53)39(54,15-58-38)14-57-25(44)7-5-16-4-6-20(19(43)8-16)59-36-32(51)29(48)26(45)22(11-41)61-36/h1-9,21-24,26-38,41-43,45-54H,11-15H2/b7-5-
InChIKey: TZFKCHSUEPOYIV-ALCCZGGFSA-N
Reference
CAS: 129761-12-2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Xeranthemum cylindraceum | Xeranthemum | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 899.8050000000009
TPSA？: 386.9200000000001
MolLogP？: -5.149819999999984
Number of H-Donors: 13
Number of H-Acceptors: 24
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|