1.0 2010-04-08 22:10:31 UTC 2025-11-18 23:41:10 UTC FDB013083 Norrubrofusarin 6-gentiobioside Constituent of the seeds of Cassia tora (charota). Norrubrofusarin 6-gentiobioside is found in coffee and coffee products, herbs and spices, and pulses. Norrubrofusarin 6-b-gentiobioside Norrubrofusarin 6-gentiobioside C26H30O15 582.5074 582.15847029 5,8-dihydroxy-2-methyl-6-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4H-benzo[g]chromen-4-one 5,8-dihydroxy-2-methyl-6-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}benzo[g]chromen-4-one 475207-59-1 CC1=CC(=O)C2=C(O)C3=C(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)C=C(O)C=C3C=C2O1 InChI=1S/C26H30O15/c1-8-2-11(29)17-12(38-8)4-9-3-10(28)5-13(16(9)20(17)32)39-26-24(36)22(34)19(31)15(41-26)7-37-25-23(35)21(33)18(30)14(6-27)40-25/h2-5,14-15,18-19,21-28,30-36H,6-7H2,1H3 CUEQARUDPRWNCW-UHFFFAOYSA-N belongs to the class of organic compounds known as naphthopyranone glycosides. Naphthopyranone glycosides are compounds containing a carbohydrate moiety glycosidically linked to a naphthopyranone moiety. Naphthopyranone glycosides Organic compounds Organoheterocyclic compounds Naphthopyrans Naphthopyranones Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Acetals Chromones Disaccharides Heteroaromatic compounds Hydrocarbon derivatives Naphthols and 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 1-naphthol 2-naphthol Acetal Alcohol Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Disaccharide Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Naphthalene Naphthopyranone glycoside O-glycosyl compound Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Oxane Phenolic glycoside Polyol Primary alcohol Pyran Pyranone Secondary alcohol Vinylogous acid logp -0.86 ALOGPS logs -2.00 ALOGPS solubility 5.77e+00 g/l ALOGPS logp -1.4 ChemAxon pka_strongest_acidic 7.93 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 5,8-dihydroxy-2-methyl-6-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4H-benzo[g]chromen-4-one ChemAxon average_mass 582.5074 ChemAxon mono_mass 582.15847029 ChemAxon smiles CC1=CC(=O)C2=C(O)C3=C(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)C=C(O)C=C3C=C2O1 ChemAxon formula C26H30O15 ChemAxon inchi InChI=1S/C26H30O15/c1-8-2-11(29)17-12(38-8)4-9-3-10(28)5-13(16(9)20(17)32)39-26-24(36)22(34)19(31)15(41-26)7-37-25-23(35)21(33)18(30)14(6-27)40-25/h2-5,14-15,18-19,21-28,30-36H,6-7H2,1H3 ChemAxon inchikey CUEQARUDPRWNCW-UHFFFAOYSA-N ChemAxon polar_surface_area 245.29 ChemAxon refractivity 134.06 ChemAxon polarizability 56.32 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 15 ChemAxon donor_count 9 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 9444 Specdb::CMs 43934 Specdb::CMs 282576 Specdb::CMs 401402 Specdb::CMs 401403 Specdb::CMs 401404 Specdb::CMs 401405 Specdb::CMs 401406 Specdb::CMs 401407 Specdb::CMs 401408 Specdb::CMs 401409 Specdb::CMs 401410 Specdb::CMs 401411 Specdb::CMs 401412 Specdb::CMs 401413 Specdb::CMs 401414 Specdb::CMs 401415 Specdb::CMs 401416 Specdb::CMs 401417 Specdb::CMs 401418 Specdb::CMs 401419 Specdb::CMs 401420 Specdb::CMs 401421 Specdb::CMs 401422 Specdb::CMs 401423 Specdb::MsMs 83415 Specdb::MsMs 83416 Specdb::MsMs 83417 Specdb::MsMs 145008 Specdb::MsMs 145009 Specdb::MsMs 145010 Specdb::MsMs 2704601 Specdb::MsMs 2704602 Specdb::MsMs 2704603 Specdb::MsMs 3003945 Specdb::MsMs 3003946 Specdb::MsMs 3003947 Specdb::NmrOneD 126638 Specdb::NmrOneD 126639 Specdb::NmrOneD 126640 Specdb::NmrOneD 126641 Specdb::NmrOneD 126642 Specdb::NmrOneD 126643 Specdb::NmrOneD 126644 Specdb::NmrOneD 126645 Specdb::NmrOneD 126646 Specdb::NmrOneD 126647 Specdb::NmrOneD 126648 Specdb::NmrOneD 126649 Specdb::NmrOneD 126650 Specdb::NmrOneD 126651 Specdb::NmrOneD 126652 Specdb::NmrOneD 126653 Specdb::NmrOneD 126654 Specdb::NmrOneD 126655 Specdb::NmrOneD 126656 Specdb::NmrOneD 126657 HMDB34570 #<Reference:0x000055ce31a26f70> Arabica coffee Type 1 specific Coffea arabica 13443 Coffee and coffee products Unknown generic Herbs and Spices Unknown generic Pulses Unknown generic Robusta coffee Type 1 specific Coffea canephora 49390