1.0 2010-04-08 22:13:36 UTC 2019-11-26 03:15:55 UTC FDB018253 Hypoletin 8-gentiobioside Isolated from Althaea officinalis (marsh mallow). Hypoletin 8-gentiobioside is found in tea, herbs and spices, and root vegetables. 8-Hydroxyluteolin 8-gentiobioside Hecogenin Hocogenin Hypoletin 8-gentiobioside C27H30O17 626.5169 626.148299534 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4H-chromen-4-one 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}chromen-4-one 115921-09-0 OCC1OC(OCC2OC(OC3=C(O)C=C(O)C4=C3OC(=CC4=O)C3=CC(O)=C(O)C=C3)C(O)C(O)C2O)C(O)C(O)C1O InChI=1S/C27H30O17/c28-6-15-18(34)20(36)22(38)26(42-15)40-7-16-19(35)21(37)23(39)27(43-16)44-24-13(33)4-11(31)17-12(32)5-14(41-25(17)24)8-1-2-9(29)10(30)3-8/h1-5,15-16,18-23,26-31,33-39H,6-7H2 AQHGCHUVXUMKOP-UHFFFAOYSA-N belongs to the class of organic compounds known as flavonoid-8-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C8-position. Flavonoid-8-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 Phenolic glycosides 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-8-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 Phenolic glycoside Polyol Primary alcohol Pyran Pyranone Secondary alcohol Vinylogous acid logp -0.51 ALOGPS logs -2.12 ALOGPS solubility 4.73e+00 g/l ALOGPS logp -1.9 ChemAxon pka_strongest_acidic 7.01 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4H-chromen-4-one ChemAxon average_mass 626.5169 ChemAxon mono_mass 626.148299534 ChemAxon smiles OCC1OC(OCC2OC(OC3=C(O)C=C(O)C4=C3OC(=CC4=O)C3=CC(O)=C(O)C=C3)C(O)C(O)C2O)C(O)C(O)C1O ChemAxon formula C27H30O17 ChemAxon inchi InChI=1S/C27H30O17/c28-6-15-18(34)20(36)22(38)26(42-15)40-7-16-19(35)21(37)23(39)27(43-16)44-24-13(33)4-11(31)17-12(32)5-14(41-25(17)24)8-1-2-9(29)10(30)3-8/h1-5,15-16,18-23,26-31,33-39H,6-7H2 ChemAxon inchikey AQHGCHUVXUMKOP-UHFFFAOYSA-N ChemAxon polar_surface_area 285.75 ChemAxon refractivity 141.43 ChemAxon polarizability 58.96 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 17 ChemAxon donor_count 11 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 29482 Specdb::NmrOneD 29483 Specdb::NmrOneD 29484 Specdb::NmrOneD 29485 Specdb::NmrOneD 29486 Specdb::NmrOneD 29487 Specdb::NmrOneD 29488 Specdb::NmrOneD 29489 Specdb::NmrOneD 29490 Specdb::NmrOneD 29491 Specdb::NmrOneD 29492 Specdb::NmrOneD 29493 Specdb::NmrOneD 29494 Specdb::NmrOneD 29495 Specdb::NmrOneD 29496 Specdb::NmrOneD 29497 Specdb::NmrOneD 29498 Specdb::NmrOneD 29499 Specdb::NmrOneD 29500 Specdb::NmrOneD 29501 Specdb::CMs 18436 Specdb::CMs 46084 Specdb::CMs 567817 Specdb::CMs 567818 Specdb::CMs 567819 Specdb::CMs 567820 Specdb::CMs 567821 Specdb::CMs 567822 Specdb::CMs 567823 Specdb::CMs 567824 Specdb::CMs 567825 Specdb::CMs 567826 Specdb::CMs 567827 Specdb::CMs 567828 Specdb::CMs 567829 Specdb::CMs 567830 Specdb::CMs 567831 Specdb::CMs 567832 Specdb::CMs 567833 Specdb::CMs 567834 Specdb::CMs 567835 Specdb::CMs 567836 Specdb::CMs 567837 Specdb::CMs 567838 Specdb::CMs 567839 Specdb::MsMs 47988 Specdb::MsMs 47989 Specdb::MsMs 47990 Specdb::MsMs 174759 Specdb::MsMs 174760 Specdb::MsMs 174761 Specdb::MsMs 2728126 Specdb::MsMs 2728127 Specdb::MsMs 2728128 Specdb::MsMs 2980715 Specdb::MsMs 2980716 Specdb::MsMs 2980717 HMDB38824 #<Reference:0x000055ce323f3350> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Herbs and Spices Unknown generic Red tea Type 1 Root vegetables Unknown generic Tea Type 1 specific Camellia sinensis 4442