1.0 2010-04-08 22:10:32 UTC 2025-11-18 23:41:32 UTC FDB013126 Isorubrofusarin 10-gentiobioside Constituent of the seeds of Cassia tora (charota). Isorubrofusarin 10-gentiobioside is found in coffee and coffee products, herbs and spices, and pulses. 10-O-Demethylflavasperone 10-gentiobioside Isorubrofusarin 10-gentiobioside C27H32O15 596.534 596.174120354 5-hydroxy-8-methoxy-2-methyl-10-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4H-benzo[h]chromen-4-one 5-hydroxy-8-methoxy-2-methyl-10-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}benzo[h]chromen-4-one 200127-93-1 COC1=CC(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)=C2C(C=C(O)C3=C2OC(C)=CC3=O)=C1 InChI=1S/C27H32O15/c1-9-3-12(29)18-13(30)5-10-4-11(37-2)6-14(17(10)25(18)39-9)40-27-24(36)22(34)20(32)16(42-27)8-38-26-23(35)21(33)19(31)15(7-28)41-26/h3-6,15-16,19-24,26-28,30-36H,7-8H2,1-2H3 CREWSFDYWMXJQL-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 Acetals Alkyl aryl ethers Anisoles 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 2-naphthol Acetal Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Disaccharide Ether 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 -0.65 ALOGPS logs -2.22 ALOGPS solubility 3.58e+00 g/l ALOGPS logp -1.3 ChemAxon pka_strongest_acidic 8.4 ChemAxon pka_strongest_basic -3 ChemAxon iupac 5-hydroxy-8-methoxy-2-methyl-10-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4H-benzo[h]chromen-4-one ChemAxon average_mass 596.534 ChemAxon mono_mass 596.174120354 ChemAxon smiles COC1=CC(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)=C2C(C=C(O)C3=C2OC(C)=CC3=O)=C1 ChemAxon formula C27H32O15 ChemAxon inchi InChI=1S/C27H32O15/c1-9-3-12(29)18-13(30)5-10-4-11(37-2)6-14(17(10)25(18)39-9)40-27-24(36)22(34)20(32)16(42-27)8-38-26-23(35)21(33)19(31)15(7-28)41-26/h3-6,15-16,19-24,26-28,30-36H,7-8H2,1-2H3 ChemAxon inchikey CREWSFDYWMXJQL-UHFFFAOYSA-N ChemAxon polar_surface_area 234.29 ChemAxon refractivity 138.54 ChemAxon polarizability 57.08 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 15 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 92430 Specdb::MsMs 92431 Specdb::MsMs 92432 Specdb::MsMs 156042 Specdb::MsMs 156043 Specdb::MsMs 156044 Specdb::MsMs 2419353 Specdb::MsMs 2419354 Specdb::MsMs 2419355 Specdb::MsMs 2542943 Specdb::MsMs 2542944 Specdb::MsMs 2542945 Specdb::CMs 12316 Specdb::CMs 43952 Specdb::CMs 283065 Specdb::CMs 453541 Specdb::CMs 453542 Specdb::CMs 453543 Specdb::CMs 453544 Specdb::CMs 453545 Specdb::CMs 453546 Specdb::CMs 453547 Specdb::CMs 453548 Specdb::CMs 453549 Specdb::CMs 453550 Specdb::CMs 453551 Specdb::CMs 453552 Specdb::CMs 453553 Specdb::CMs 453554 Specdb::CMs 453555 Specdb::CMs 453556 Specdb::CMs 453557 Specdb::CMs 453558 Specdb::CMs 453559 Specdb::CMs 453560 Specdb::CMs 453561 Specdb::CMs 453562 Specdb::NmrOneD 126818 Specdb::NmrOneD 126819 Specdb::NmrOneD 126820 Specdb::NmrOneD 126821 Specdb::NmrOneD 126822 Specdb::NmrOneD 126823 Specdb::NmrOneD 126824 Specdb::NmrOneD 126825 Specdb::NmrOneD 126826 Specdb::NmrOneD 126827 Specdb::NmrOneD 126828 Specdb::NmrOneD 126829 Specdb::NmrOneD 126830 Specdb::NmrOneD 126831 Specdb::NmrOneD 126832 Specdb::NmrOneD 126833 Specdb::NmrOneD 126834 Specdb::NmrOneD 126835 Specdb::NmrOneD 126836 Specdb::NmrOneD 126837 HMDB34609 #<Reference:0x000055ce32585df8> 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