1.0 2010-04-08 22:12:50 UTC 2025-11-19 01:51:57 UTC FDB017089 Quercetin 3-[rhamnosyl-(1->2)-alpha-L-arabinopyranoside] Isolated from seeds of black mustard (Brassica nigra). Quercetin 3-[rhamnosyl-(1->2)-alpha-L-arabinopyranoside] is found in brassicas. 3,3',4',5,7-Pentahydroxyflavone 3-O-[a-L-rhamnopyranosyl-(1->2)-a-L-arabinopyranoside] Quercetin 3-[rhamnosyl-(1->2)-alpha-L-arabinopyranoside] Quercetin 3-O-[a-L-rhamnopyranosyl-(1->2)-a-L-arabinopyranoside] Quercetin 3-rhamnosyl-(1->2)-alpha-L-arabinopyranoside C26H28O15 580.4915 580.142820226 3-({4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one 3-({4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one 86749-52-2 CC1OC(OC2C(O)C(O)COC2OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O InChI=1S/C26H28O15/c1-8-17(32)20(35)21(36)25(38-8)41-24-18(33)14(31)7-37-26(24)40-23-19(34)16-13(30)5-10(27)6-15(16)39-22(23)9-2-3-11(28)12(29)4-9/h2-6,8,14,17-18,20-21,24-33,35-36H,7H2,1H3 IKTXLMAFUIXYTI-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 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 Pyran Pyranone Secondary alcohol Vinylogous acid logp 0.45 ALOGPS logs -2.23 ALOGPS solubility 3.41e+00 g/l ALOGPS melting_point Mp 194-195° logp -0.24 ChemAxon pka_strongest_acidic 6.43 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 3-({4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one ChemAxon average_mass 580.4915 ChemAxon mono_mass 580.142820226 ChemAxon smiles CC1OC(OC2C(O)C(O)COC2OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O ChemAxon formula C26H28O15 ChemAxon inchi InChI=1S/C26H28O15/c1-8-17(32)20(35)21(36)25(38-8)41-24-18(33)14(31)7-37-26(24)40-23-19(34)16-13(30)5-10(27)6-15(16)39-22(23)9-2-3-11(28)12(29)4-9/h2-6,8,14,17-18,20-21,24-33,35-36H,7H2,1H3 ChemAxon inchikey IKTXLMAFUIXYTI-UHFFFAOYSA-N ChemAxon polar_surface_area 245.29 ChemAxon refractivity 134.18 ChemAxon polarizability 55.04 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 15 ChemAxon donor_count 9 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 23622 Specdb::NmrOneD 23623 Specdb::NmrOneD 23624 Specdb::NmrOneD 23625 Specdb::NmrOneD 23626 Specdb::NmrOneD 23627 Specdb::NmrOneD 23628 Specdb::NmrOneD 23629 Specdb::NmrOneD 23630 Specdb::NmrOneD 23631 Specdb::NmrOneD 23632 Specdb::NmrOneD 23633 Specdb::NmrOneD 23634 Specdb::NmrOneD 23635 Specdb::NmrOneD 23636 Specdb::NmrOneD 23637 Specdb::NmrOneD 23638 Specdb::NmrOneD 23639 Specdb::NmrOneD 23640 Specdb::NmrOneD 23641 Specdb::MsMs 54828 Specdb::MsMs 54829 Specdb::MsMs 54830 Specdb::MsMs 139389 Specdb::MsMs 139390 Specdb::MsMs 139391 Specdb::MsMs 2723858 Specdb::MsMs 2723859 Specdb::MsMs 2723860 Specdb::MsMs 2954733 Specdb::MsMs 2954734 Specdb::MsMs 2954735 Specdb::CMs 25274 Specdb::CMs 45594 Specdb::CMs 282541 Specdb::CMs 394468 Specdb::CMs 394469 Specdb::CMs 394470 Specdb::CMs 394471 Specdb::CMs 394472 Specdb::CMs 394473 Specdb::CMs 394474 Specdb::CMs 394475 Specdb::CMs 394476 Specdb::CMs 394477 Specdb::CMs 394478 Specdb::CMs 394479 Specdb::CMs 394480 Specdb::CMs 394481 Specdb::CMs 394482 Specdb::CMs 394483 Specdb::CMs 394484 Specdb::CMs 394485 Specdb::CMs 394486 Specdb::CMs 394487 Specdb::CMs 394488 Specdb::CMs 394489 HMDB37928 #<Reference:0x000055ce321cd6c0> Brassicas Unknown generic 3705