1.0 2010-04-08 22:10:10 UTC 2019-11-26 03:06:47 UTC FDB012442 2-Hydroxybenzaldehyde O-[xylosyl-(1->6)-glucoside] Isolated from Filipendula ulmaria (meadowsweet). 2-Hydroxybenzaldehyde O-[xylosyl-(1->6)-glucoside] is found in tea and alcoholic beverages. 2-Hydroxybenzaldehyde O-[b-D-xylopyranosyl-(1->6)-b-D-glucopyranoside] 2-Hydroxybenzaldehyde O-[b-D-xylosyl-(1->6)-b-D-glucoside] 2-Hydroxybenzaldehyde O-[xylosyl-(1->6)-glucoside] Glucopyranoside, o-formylphenyl 6-O-beta-D-xylopyranosyl, beta-D (8CI) Spiraein (Filipendula) C18H24O11 416.3766 416.13186161 2-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]benzaldehyde 2-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]benzaldehyde 14907-56-3 OC1COC(OCC2OC(OC3=CC=CC=C3C=O)C(O)C(O)C2O)C(O)C1O InChI=1S/C18H24O11/c19-5-8-3-1-2-4-10(8)28-18-16(25)14(23)13(22)11(29-18)7-27-17-15(24)12(21)9(20)6-26-17/h1-5,9,11-18,20-25H,6-7H2 DSDFXGQRZAFFQA-UHFFFAOYSA-N belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. Phenolic glycosides Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aromatic heteromonocyclic compounds Acetals Benzaldehydes Benzoyl derivatives Disaccharides Hydrocarbon derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenol ethers Phenoxy compounds Polyols Secondary alcohols Acetal Alcohol Aldehyde Aromatic heteromonocyclic compound Aryl-aldehyde Benzaldehyde Benzenoid Benzoyl Disaccharide Hydrocarbon derivative Monocyclic benzene moiety O-glycosyl compound Organic oxide Organoheterocyclic compound Oxacycle Oxane Phenol ether Phenolic glycoside Phenoxy compound Polyol Secondary alcohol logp -1.43 ALOGPS logs -1.26 ALOGPS solubility 2.29e+01 g/l ALOGPS melting_point Mp 230-231° logp -2 ChemAxon pka_strongest_acidic 11.92 ChemAxon pka_strongest_basic -3.5 ChemAxon iupac 2-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]benzaldehyde ChemAxon average_mass 416.3766 ChemAxon mono_mass 416.13186161 ChemAxon smiles OC1COC(OCC2OC(OC3=CC=CC=C3C=O)C(O)C(O)C2O)C(O)C1O ChemAxon formula C18H24O11 ChemAxon inchi InChI=1S/C18H24O11/c19-5-8-3-1-2-4-10(8)28-18-16(25)14(23)13(22)11(29-18)7-27-17-15(24)12(21)9(20)6-26-17/h1-5,9,11-18,20-25H,6-7H2 ChemAxon inchikey DSDFXGQRZAFFQA-UHFFFAOYSA-N ChemAxon polar_surface_area 175.37 ChemAxon refractivity 93.22 ChemAxon polarizability 39.94 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 11 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 9791 Specdb::MsMs 9792 Specdb::MsMs 9793 Specdb::MsMs 16463 Specdb::MsMs 16464 Specdb::MsMs 16465 Specdb::MsMs 2724554 Specdb::MsMs 2724555 Specdb::MsMs 2724556 Specdb::MsMs 2956998 Specdb::MsMs 2956999 Specdb::MsMs 2957000 Specdb::CMs 13024 Specdb::CMs 43738 Specdb::CMs 162136 Specdb::NmrOneD 124538 Specdb::NmrOneD 124539 Specdb::NmrOneD 124540 Specdb::NmrOneD 124541 Specdb::NmrOneD 124542 Specdb::NmrOneD 124543 Specdb::NmrOneD 124544 Specdb::NmrOneD 124545 Specdb::NmrOneD 124546 Specdb::NmrOneD 124547 Specdb::NmrOneD 124548 Specdb::NmrOneD 124549 Specdb::NmrOneD 124550 Specdb::NmrOneD 124551 Specdb::NmrOneD 124552 Specdb::NmrOneD 124553 Specdb::NmrOneD 124554 Specdb::NmrOneD 124555 Specdb::NmrOneD 124556 Specdb::NmrOneD 124557 HMDB34157 #<Reference:0x000055ce33369398> Alcoholic beverages Unknown generic Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442