1.0 2010-04-08 22:10:31 UTC 2025-11-18 23:41:10 UTC FDB013082 Rubrofusarin 6-[glucosyl-(1->3)-glucosyl-(1->6)-glucoside] Constituent of the seeds of Cassia tora (charota). Rubrofusarin 6-[glucosyl-(1->3)-glucosyl-(1->6)-glucoside] is found in coffee and coffee products, herbs and spices, and pulses. Rubrofusarin 6-[glucosyl-(1->3)-glucosyl-(1->6)-glucoside] Rubrofusarin 6-O-[b-D-glucopyranosyl-(1->3)-b-D-glucopyranosyl-(1->6)-b-D-glucopyranoside] Rubrofusarin 6-O-[b-D-glucosyl-(1->3)-b-D-glucosyl-(1->6)-b-D-glucoside] C33H42O20 758.6746 758.226943784 6-{[6-({[3,5-dihydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5-hydroxy-8-methoxy-2-methyl-4H-benzo[g]chromen-4-one 6-{[6-({[3,5-dihydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5-hydroxy-8-methoxy-2-methylbenzo[g]chromen-4-one 475207-59-1 COC1=CC(OC2OC(COC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(O)C(O)C2O)=C2C(O)=C3C(=O)C=C(C)OC3=CC2=C1 InChI=1S/C33H42O20/c1-10-3-13(36)20-14(48-10)5-11-4-12(46-2)6-15(19(11)24(20)40)49-32-27(43)26(42)22(38)18(52-32)9-47-31-29(45)30(23(39)17(8-35)50-31)53-33-28(44)25(41)21(37)16(7-34)51-33/h3-6,16-18,21-23,25-35,37-45H,7-9H2,1-2H3 HLSFLOGWAMZXNK-UHFFFAOYSA-N belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds. Oligosaccharides Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aromatic heteropolycyclic compounds 1-hydroxy-4-unsubstituted benzenoids Acetals Alkyl aryl ethers Anisoles Chromones Heteroaromatic compounds Hydrocarbon derivatives Naphthols and derivatives Naphthopyranone glycosides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Polyols Primary alcohols Pyranones and derivatives Secondary alcohols Vinylogous acids 1-benzopyran 1-hydroxy-4-unsubstituted benzenoid 1-naphthol Acetal Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Ether Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Naphthalene Naphthopyran Naphthopyranone Naphthopyranone glycoside O-glycosyl compound Oligosaccharide Organic oxide Organoheterocyclic compound Oxacycle Oxane Phenolic glycoside Polyol Primary alcohol Pyran Pyranone Secondary alcohol Vinylogous acid logp -0.97 ALOGPS logs -1.88 ALOGPS solubility 9.96e+00 g/l ALOGPS melting_point Mp 198° logp -3.1 ChemAxon pka_strongest_acidic 7.99 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 6-{[6-({[3,5-dihydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5-hydroxy-8-methoxy-2-methyl-4H-benzo[g]chromen-4-one ChemAxon average_mass 758.6746 ChemAxon mono_mass 758.226943784 ChemAxon smiles COC1=CC(OC2OC(COC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(O)C(O)C2O)=C2C(O)=C3C(=O)C=C(C)OC3=CC2=C1 ChemAxon formula C33H42O20 ChemAxon inchi InChI=1S/C33H42O20/c1-10-3-13(36)20-14(48-10)5-11-4-12(46-2)6-15(19(11)24(20)40)49-32-27(43)26(42)22(38)18(52-32)9-47-31-29(45)30(23(39)17(8-35)50-31)53-33-28(44)25(41)21(37)16(7-34)51-33/h3-6,16-18,21-23,25-35,37-45H,7-9H2,1-2H3 ChemAxon inchikey HLSFLOGWAMZXNK-UHFFFAOYSA-N ChemAxon polar_surface_area 313.44 ChemAxon refractivity 170.95 ChemAxon polarizability 73.89 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 20 ChemAxon donor_count 11 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 781529 Specdb::CMs 781530 Specdb::CMs 781531 Specdb::CMs 781532 Specdb::CMs 781533 Specdb::CMs 781534 Specdb::CMs 781535 Specdb::CMs 781536 Specdb::CMs 781537 Specdb::CMs 781538 Specdb::CMs 781539 Specdb::CMs 781540 Specdb::CMs 781541 Specdb::CMs 781542 Specdb::CMs 781543 Specdb::CMs 781544 Specdb::CMs 781545 Specdb::CMs 781546 Specdb::CMs 781547 Specdb::CMs 781548 Specdb::CMs 781549 Specdb::CMs 781550 Specdb::MsMs 48069 Specdb::MsMs 48070 Specdb::MsMs 48071 Specdb::MsMs 146151 Specdb::MsMs 146152 Specdb::MsMs 146153 Specdb::MsMs 2771738 Specdb::MsMs 2771739 Specdb::MsMs 2771740 Specdb::MsMs 2910155 Specdb::MsMs 2910156 Specdb::MsMs 2910157 Specdb::NmrOneD 126618 Specdb::NmrOneD 126619 Specdb::NmrOneD 126620 Specdb::NmrOneD 126621 Specdb::NmrOneD 126622 Specdb::NmrOneD 126623 Specdb::NmrOneD 126624 Specdb::NmrOneD 126625 Specdb::NmrOneD 126626 Specdb::NmrOneD 126627 Specdb::NmrOneD 126628 Specdb::NmrOneD 126629 Specdb::NmrOneD 126630 Specdb::NmrOneD 126631 Specdb::NmrOneD 126632 Specdb::NmrOneD 126633 Specdb::NmrOneD 126634 Specdb::NmrOneD 126635 Specdb::NmrOneD 126636 Specdb::NmrOneD 126637 HMDB34569 #<Reference:0x000055ce324ff398> 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