1.0 2010-04-08 22:09:21 UTC 2025-11-18 23:22:47 UTC FDB010891 Kaempferol 7-sophoroside Constituent of saffron (Crocus sativus). Kaempferol 7-sophoroside is found in saffron and herbs and spices. 7-[(2-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]-3,5-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one Kaempferol 7-sophoroside C27H30O16 610.5175 610.153384912 7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,5-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one 7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,5-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one OCC1OC(OC2C(O)C(O)C(CO)OC2OC2=CC(O)=C3C(=O)C(O)=C(OC3=C2)C2=CC=C(O)C=C2)C(O)C(O)C1O InChI=1S/C27H30O16/c28-7-14-17(32)20(35)23(38)26(41-14)43-25-21(36)18(33)15(8-29)42-27(25)39-11-5-12(31)16-13(6-11)40-24(22(37)19(16)34)9-1-3-10(30)4-2-9/h1-6,14-15,17-18,20-21,23,25-33,35-38H,7-8H2 QIIWNLYXERJKDH-UHFFFAOYSA-N belongs to the class of organic compounds known as flavonoid-7-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position. Flavonoid-7-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 Acetals Benzene and substituted derivatives Chromones Disaccharides Flavonols 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-hydroxyflavone 3-hydroxyflavonoid 4'-hydroxyflavonoid 5-hydroxyflavonoid Acetal Alcohol Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Disaccharide Flavone Flavonoid-7-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 -0.74 ALOGPS logs -2.14 ALOGPS solubility 4.39e+00 g/l ALOGPS logp -1.6 ChemAxon pka_strongest_acidic 8.01 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,5-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one ChemAxon average_mass 610.5175 ChemAxon mono_mass 610.153384912 ChemAxon smiles OCC1OC(OC2C(O)C(O)C(CO)OC2OC2=CC(O)=C3C(=O)C(O)=C(OC3=C2)C2=CC=C(O)C=C2)C(O)C(O)C1O ChemAxon formula C27H30O16 ChemAxon inchi InChI=1S/C27H30O16/c28-7-14-17(32)20(35)23(38)26(41-14)43-25-21(36)18(33)15(8-29)42-27(25)39-11-5-12(31)16-13(6-11)40-24(22(37)19(16)34)9-1-3-10(30)4-2-9/h1-6,14-15,17-18,20-21,23,25-33,35-38H,7-8H2 ChemAxon inchikey QIIWNLYXERJKDH-UHFFFAOYSA-N ChemAxon polar_surface_area 265.52 ChemAxon refractivity 139.44 ChemAxon polarizability 59 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 16 ChemAxon donor_count 10 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 86400 Specdb::MsMs 86401 Specdb::MsMs 86402 Specdb::MsMs 148692 Specdb::MsMs 148693 Specdb::MsMs 148694 Specdb::MsMs 2820636 Specdb::MsMs 2820637 Specdb::MsMs 2820638 Specdb::MsMs 2858351 Specdb::MsMs 2858352 Specdb::MsMs 2858353 Specdb::NmrOneD 116518 Specdb::NmrOneD 116519 Specdb::NmrOneD 116520 Specdb::NmrOneD 116521 Specdb::NmrOneD 116522 Specdb::NmrOneD 116523 Specdb::NmrOneD 116524 Specdb::NmrOneD 116525 Specdb::NmrOneD 116526 Specdb::NmrOneD 116527 Specdb::NmrOneD 116528 Specdb::NmrOneD 116529 Specdb::NmrOneD 116530 Specdb::NmrOneD 116531 Specdb::NmrOneD 116532 Specdb::NmrOneD 116533 Specdb::NmrOneD 116534 Specdb::NmrOneD 116535 Specdb::NmrOneD 116536 Specdb::NmrOneD 116537 Specdb::CMs 23091 Specdb::CMs 43021 Specdb::CMs 502624 Specdb::CMs 502625 Specdb::CMs 502626 Specdb::CMs 502627 Specdb::CMs 502628 Specdb::CMs 502629 Specdb::CMs 502630 Specdb::CMs 502631 Specdb::CMs 502632 Specdb::CMs 502633 Specdb::CMs 502634 Specdb::CMs 502635 Specdb::CMs 502636 Specdb::CMs 502637 Specdb::CMs 502638 Specdb::CMs 502639 Specdb::CMs 502640 Specdb::CMs 502641 Specdb::CMs 502642 Specdb::CMs 502643 Specdb::CMs 502644 Specdb::CMs 502645 Specdb::CMs 502646 HMDB32908 #<Reference:0x000055ce3216db08> Amaranth Type 1 specific Amaranthus 3564 Annual wild rice Type 1 specific Zizania aquatica 75727 Barley Type 1 specific Hordeum vulgare 4513 Breakfast cereal Type 2 specific Bulgur Type 2 specific Cereals and cereal products Unknown generic Common buckwheat Type 1 specific Fagopyrum esculentum 3617 Common wheat Type 1 specific Triticum aestivum 4565 Corn Type 1 specific Zea mays 4577 Flour Type 2 specific Hard wheat Type 1 specific Triticum durum 4567 Herbs and Spices Unknown generic Millet Type 1 specific Panicum miliaceum 4540 Oat Type 1 specific Avena sativa 4498 Oriental wheat Type 1 specific Triticum turanicum 376534 Quinoa Type 1 specific Chenopodium quinoa 63459 Red rice Type 1 specific Oryza rufipogon 4529 Rice Type 1 specific Oryza sativa 4530 Rye Type 1 specific Secale cereale 4550 Saffron Type 1 specific Crocus sativus 82528 Sorghum Type 1 specific Sorghum bicolor 4558 Soy bean Type 1 specific Glycine max 3847 Spelt Type 1 specific Triticum spelta 58933 Tartary buckwheat Type 1 specific Fagopyrum tataricum 62330 Teff Type 1 specific Eragrostis tef 110835 Triticale Type 1 specific X Triticosecale rimpaui Wheat Type 1 specific Triticum 4564 Wild rice Type 1 specific Zizania 15949