1.0 2010-04-08 22:15:35 UTC 2025-11-19 02:36:33 UTC FDB021281 Quercetin 3-beta-laminaribioside Constituent of Pteridium aquilinum (bracken fern). Quercetin 3-beta-laminaribioside is found in green vegetables and root vegetables. Quercetin 3-b-laminaribioside Quercetin 3-laminaribioside C27H30O17 626.5169 626.148299534 3-{[3,5-dihydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one 3-{[3,5-dihydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one 171828-58-3 OCC1OC(OC2C(O)C(CO)OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)C2O)C(O)C(O)C1O InChI=1S/C27H30O17/c28-6-14-17(34)20(37)21(38)26(41-14)43-24-18(35)15(7-29)42-27(22(24)39)44-25-19(36)16-12(33)4-9(30)5-13(16)40-23(25)8-1-2-10(31)11(32)3-8/h1-5,14-15,17-18,20-22,24,26-35,37-39H,6-7H2 RAMYMBNTEMMDSX-UHFFFAOYSA-N belongs to the class of organic compounds known as flavonoid-3-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. Flavonoid-3-O-glycosides Organic compounds Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Acetals Benzene and substituted derivatives Catechols Chromones Disaccharides Flavones Heteroaromatic compounds Hydrocarbon derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Pyranones and derivatives Secondary alcohols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid Acetal Alcohol Aromatic heteropolycyclic compound Benzenoid Benzopyran Catechol Chromone Disaccharide Flavone Flavonoid-3-o-glycoside Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Polyol Primary alcohol Pyran Pyranone Secondary alcohol Vinylogous acid logp -0.51 ALOGPS logs -1.95 ALOGPS solubility 7.05e+00 g/l ALOGPS logp -1.9 ChemAxon pka_strongest_acidic 6.43 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 3-{[3,5-dihydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one ChemAxon average_mass 626.5169 ChemAxon mono_mass 626.148299534 ChemAxon smiles OCC1OC(OC2C(O)C(CO)OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)C2O)C(O)C(O)C1O ChemAxon formula C27H30O17 ChemAxon inchi InChI=1S/C27H30O17/c28-6-14-17(34)20(37)21(38)26(41-14)43-24-18(35)15(7-29)42-27(22(24)39)44-25-19(36)16-12(33)4-9(30)5-13(16)40-23(25)8-1-2-10(31)11(32)3-8/h1-5,14-15,17-18,20-22,24,26-35,37-39H,6-7H2 ChemAxon inchikey RAMYMBNTEMMDSX-UHFFFAOYSA-N ChemAxon polar_surface_area 285.75 ChemAxon refractivity 141.69 ChemAxon polarizability 59.07 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 17 ChemAxon donor_count 11 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 6626 Specdb::MsMs 6627 Specdb::MsMs 6628 Specdb::MsMs 11585 Specdb::MsMs 11586 Specdb::MsMs 11587 Specdb::MsMs 13298 Specdb::MsMs 13299 Specdb::MsMs 13300 Specdb::MsMs 18257 Specdb::MsMs 18258 Specdb::MsMs 18259 Specdb::MsMs 2793314 Specdb::MsMs 2793315 Specdb::MsMs 2793316 Specdb::MsMs 2916527 Specdb::MsMs 2916528 Specdb::MsMs 2916529 Specdb::NmrOneD 46442 Specdb::NmrOneD 46443 Specdb::NmrOneD 46444 Specdb::NmrOneD 46445 Specdb::NmrOneD 46446 Specdb::NmrOneD 46447 Specdb::NmrOneD 46448 Specdb::NmrOneD 46449 Specdb::NmrOneD 46450 Specdb::NmrOneD 46451 Specdb::NmrOneD 46452 Specdb::NmrOneD 46453 Specdb::NmrOneD 46454 Specdb::NmrOneD 46455 Specdb::NmrOneD 46456 Specdb::NmrOneD 46457 Specdb::NmrOneD 46458 Specdb::NmrOneD 46459 Specdb::NmrOneD 46460 Specdb::NmrOneD 46461 Specdb::CMs 21078 Specdb::CMs 47270 Specdb::CMs 569243 Specdb::CMs 569244 Specdb::CMs 569245 Specdb::CMs 569246 Specdb::CMs 569247 Specdb::CMs 569248 Specdb::CMs 569249 Specdb::CMs 569250 Specdb::CMs 569251 Specdb::CMs 569252 Specdb::CMs 569253 Specdb::CMs 569254 Specdb::CMs 569255 Specdb::CMs 569256 Specdb::CMs 569257 Specdb::CMs 569258 Specdb::CMs 569259 Specdb::CMs 569260 Specdb::CMs 569261 Specdb::CMs 569262 Specdb::CMs 569263 Specdb::CMs 569264 Specdb::CMs 569265 HMDB41358 #<Reference:0x00007f093c1b57c8> Green vegetables Unknown generic Root vegetables Unknown generic