1.0 2010-04-08 22:15:00 UTC 2019-11-26 03:18:53 UTC FDB020411 Gaylussacin Constituent of the leaves of Gaylussacia baccata (black huckleberry) and Gaylussacia frondosa (dangleberry). Gaylussacin is found in black huckleberry and fruits. 3,5-Dihydroxystilbene-2-carboxylic acid 3-O-beta-D-glucopyranoside Gaylussacin C21H22O9 418.394 418.126382302 4-hydroxy-2-[(E)-2-phenylethenyl]-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid 4-hydroxy-2-[(E)-2-phenylethenyl]-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid 38232-08-5 OC[C@H]1O[C@@H](OC2=CC(O)=CC(\C=C\C3=CC=CC=C3)=C2C(O)=O)[C@H](O)[C@@H](O)[C@@H]1O InChI=1S/C21H22O9/c22-10-15-17(24)18(25)19(26)21(30-15)29-14-9-13(23)8-12(16(14)20(27)28)7-6-11-4-2-1-3-5-11/h1-9,15,17-19,21-26H,10H2,(H,27,28)/b7-6+/t15-,17-,18+,19-,21-/m1/s1 GQIUCJBQLDCVPS-BNVRZUOOSA-N belongs to the class of organic compounds known as stilbene glycosides. Stilbene glycosides are compounds structurally characterized by the presence of a carbohydrate moiety glycosidically linked to the stilbene skeleton. Stilbene glycosides Organic compounds Phenylpropanoids and polyketides Stilbenes Stilbene glycosides Aromatic heteromonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Acetals Benzoic acids Benzoyl derivatives Carboxylic acids Hexoses Hydrocarbon derivatives Hydroxybenzoic acid derivatives Monocarboxylic acids and derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenol ethers Phenolic glycosides Phenoxy compounds Polyols Primary alcohols Secondary alcohols Styrenes Sugar acids and derivatives 1-hydroxy-2-unsubstituted benzenoid Acetal Alcohol Aromatic heteromonocyclic compound Benzenoid Benzoic acid Benzoic acid or derivatives Benzoyl Carboxylic acid Carboxylic acid derivative Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Hydroxybenzoic acid Monocarboxylic acid or derivatives Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenol ether Phenolic glycoside Phenoxy compound Polyol Primary alcohol Secondary alcohol Stilbene glycoside Styrene Sugar acid logp 1.05 ALOGPS logs -2.68 ALOGPS solubility 8.69e-01 g/l ALOGPS melting_point Mp 235-236° logp 1.1 ChemAxon pka_strongest_acidic 3.69 ChemAxon pka_strongest_basic -3 ChemAxon iupac 4-hydroxy-2-[(E)-2-phenylethenyl]-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid ChemAxon average_mass 418.394 ChemAxon mono_mass 418.126382302 ChemAxon smiles OC[C@H]1O[C@@H](OC2=CC(O)=CC(\C=C\C3=CC=CC=C3)=C2C(O)=O)[C@H](O)[C@@H](O)[C@@H]1O ChemAxon formula C21H22O9 ChemAxon inchi InChI=1S/C21H22O9/c22-10-15-17(24)18(25)19(26)21(30-15)29-14-9-13(23)8-12(16(14)20(27)28)7-6-11-4-2-1-3-5-11/h1-9,15,17-19,21-26H,10H2,(H,27,28)/b7-6+/t15-,17-,18+,19-,21-/m1/s1 ChemAxon inchikey GQIUCJBQLDCVPS-BNVRZUOOSA-N ChemAxon polar_surface_area 156.91 ChemAxon refractivity 104.88 ChemAxon polarizability 41.88 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 9 ChemAxon donor_count 6 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23644 Specdb::CMs 46867 Specdb::CMs 153914 Specdb::CMs 169742 Specdb::CMs 279955 Specdb::MsMs 318409 Specdb::MsMs 318410 Specdb::MsMs 318411 Specdb::MsMs 365170 Specdb::MsMs 365171 Specdb::MsMs 365172 Specdb::MsMs 2306481 Specdb::MsMs 2306482 Specdb::MsMs 2306483 Specdb::MsMs 3061964 Specdb::MsMs 3061965 Specdb::MsMs 3061966 HMDB40620 477735 #<Reference:0x000055ce31defd50> Black huckleberry Type 1 specific Gaylussacia baccata 128893 Fruits Unknown generic