10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
A herb extraction of Passiflora coactilis
| ALogP | -1.911 |
|---|---|
| HBD Count | 10 |
| Rotatable Bond | 6 |
| Pubchem Sid | 528759346 |
|---|---|
| Canonical Smiles | C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)CO)O)O)O |
| IUPAC Name | 5,7-dihydroxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one |
| InChIKey | CQJPSSJEHVNDFL-WIQAIWCDSA-N |
| INCHI | 1S/C27H30O15/c28-7-15-19(33)21(35)23(37)26(41-15)18-12(31)5-11(30)17-13(32)6-14(40-25(17)18)9-1-3-10(4-2-9)39-27-24(38)22(36)20(34)16(8-29)42-27/h1-6,15-16,19-24,26-31,33-38H,7-8H2/t15-,16-,19-,20-,21+,22+,23-,24-,26+,27-/m1/s1 |
| Isomeric SMILES | C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O |
| PubChem CID | 15596617 |
| Molecular Weight | 594.52 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Phenylpropanoids and polyketides |
| Class | Flavonoids |
| Subclass | Flavonoid glycosides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Flavonoid O-glycosides |
| Alternative Parents | Flavonoid 8-C-glycosides Flavones 7-hydroxyflavonoids 5-hydroxyflavonoids Phenolic glycosides O-glycosyl compounds Chromones C-glycosyl compounds Phenoxy compounds Phenol ethers Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids Oxanes Monosaccharides Vinylogous acids Heteroaromatic compounds Secondary alcohols Polyols Oxacyclic compounds Dialkyl ethers Acetals Primary alcohols Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Flavonoid o-glycoside - Flavonoid-4p-o-glycoside - Flavonoid-8-c-glycoside - Flavonoid c-glycoside - Hydroxyflavonoid - Flavone - 7-hydroxyflavonoid - 5-hydroxyflavonoid - Phenolic glycoside - O-glycosyl compound - Glycosyl compound - Chromone - C-glycosyl compound - 1-benzopyran - Benzopyran - Phenoxy compound - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - Benzenoid - Pyran - Oxane - Monosaccharide - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous acid - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Polyol - Ether - Dialkyl ether - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as flavonoid o-glycosides. These are compounds containing a carbohydrate moiety which is O-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone. |
| External Descriptors | Not available |
| DMSO(mg / mL) Max Solubility | 10 |
|---|---|
| DMSO(mM) Max Solubility | 16.8203457556633 |
| Molecular Weight | 594.500 g/mol |
| XLogP3 | -1.600 |
| Hydrogen Bond Donor Count | 10 |
| Hydrogen Bond Acceptor Count | 15 |
| Rotatable Bond Count | 6 |
| Exact Mass | 594.158 Da |
| Monoisotopic Mass | 594.158 Da |
| Topological Polar Surface Area | 256.000 Ų |
| Heavy Atom Count | 42 |
| Formal Charge | 0 |
| Complexity | 971.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 10 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
