1.0 2010-04-08 22:14:53 UTC 2019-11-26 03:18:39 UTC FDB020231 Kaempferol 3-O-glucosyl-(1->2)-rhamnoside Isolated from Ginkgo biloba (ginkgo). Kaempferol 3-O-glucosyl-(1->2)-rhamnoside is found in ginkgo nuts and fats and oils. 3-[(6-Deoxy-2-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one Kaempferol 3-glucosyl-(1->2)-rhamnoside Kaempferol-3-O-glucosyl(1-2)rhamnoside Kemp-glu-rham Kempferol-3-O-glucosyl(1-2)rhamnoside C27H30O15 594.5181 594.15847029 3-[(4,5-dihydroxy-6-methyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one 3-[(4,5-dihydroxy-6-methyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one 142451-65-8 CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O InChI=1S/C27H30O15/c1-9-17(32)21(36)25(42-26-22(37)20(35)18(33)15(8-28)40-26)27(38-9)41-24-19(34)16-13(31)6-12(30)7-14(16)39-23(24)10-2-4-11(29)5-3-10/h2-7,9,15,17-18,20-22,25-33,35-37H,8H2,1H3 BCNBWICEIXAVQF-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 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Acetals Benzene and substituted derivatives 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 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid Acetal Alcohol Aromatic heteropolycyclic compound Benzenoid Benzopyran 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 0.08 ALOGPS logs -2.21 ALOGPS solubility 3.70e+00 g/l ALOGPS logp -0.57 ChemAxon pka_strongest_acidic 6.43 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 3-[(4,5-dihydroxy-6-methyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one ChemAxon average_mass 594.5181 ChemAxon mono_mass 594.15847029 ChemAxon smiles CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O ChemAxon formula C27H30O15 ChemAxon inchi InChI=1S/C27H30O15/c1-9-17(32)21(36)25(42-26-22(37)20(35)18(33)15(8-28)40-26)27(38-9)41-24-19(34)16-13(31)6-12(30)7-14(16)39-23(24)10-2-4-11(29)5-3-10/h2-7,9,15,17-18,20-22,25-33,35-37H,8H2,1H3 ChemAxon inchikey BCNBWICEIXAVQF-UHFFFAOYSA-N ChemAxon polar_surface_area 245.29 ChemAxon refractivity 138.16 ChemAxon polarizability 56.89 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 15 ChemAxon donor_count 9 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 40622 Specdb::NmrOneD 40623 Specdb::NmrOneD 40624 Specdb::NmrOneD 40625 Specdb::NmrOneD 40626 Specdb::NmrOneD 40627 Specdb::NmrOneD 40628 Specdb::NmrOneD 40629 Specdb::NmrOneD 40630 Specdb::NmrOneD 40631 Specdb::NmrOneD 40632 Specdb::NmrOneD 40633 Specdb::NmrOneD 40634 Specdb::NmrOneD 40635 Specdb::NmrOneD 40636 Specdb::NmrOneD 40637 Specdb::NmrOneD 40638 Specdb::NmrOneD 40639 Specdb::NmrOneD 40640 Specdb::NmrOneD 40641 Specdb::MsMs 296428 Specdb::MsMs 296429 Specdb::MsMs 296430 Specdb::MsMs 337726 Specdb::MsMs 337727 Specdb::MsMs 337728 Specdb::MsMs 2696634 Specdb::MsMs 2696635 Specdb::MsMs 2696636 Specdb::MsMs 2982806 Specdb::MsMs 2982807 Specdb::MsMs 2982808 Specdb::CMs 13797 Specdb::CMs 46787 Specdb::CMs 282983 Specdb::CMs 436809 Specdb::CMs 436810 Specdb::CMs 436811 Specdb::CMs 436812 Specdb::CMs 436813 Specdb::CMs 436814 Specdb::CMs 436815 Specdb::CMs 436816 Specdb::CMs 436817 Specdb::CMs 436818 Specdb::CMs 436819 Specdb::CMs 436820 Specdb::CMs 436821 Specdb::CMs 436822 Specdb::CMs 436823 Specdb::CMs 436824 Specdb::CMs 436825 Specdb::CMs 436826 Specdb::CMs 436827 Specdb::CMs 436828 Specdb::CMs 436829 Specdb::CMs 436830 HMDB40475 #<Reference:0x000055ce3301a408> Fats and oils Unknown generic Ginkgo nuts Type 1 specific Ginkgo biloba 3311