1.0 2010-04-08 22:11:05 UTC 2025-11-19 00:43:49 UTC FDB014098 Pyranocyanin A Constituent of the seeds of Ribes nigrum (blackcurrant). Pyranocyanin A is found in fruits. Pyranocyanin A C30H33O15 633.574 633.181945386 7-(3,4-dihydroxyphenyl)-11-hydroxy-3-methyl-6-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-2λ⁴,8-dioxatricyclo[7.3.1.0⁵,¹³]trideca-1,3,5(13),6,9,11-hexaen-2-ylium 7-(3,4-dihydroxyphenyl)-11-hydroxy-3-methyl-6-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-2λ⁴,8-dioxatricyclo[7.3.1.0⁵,¹³]trideca-1,3,5(13),6,9,11-hexaen-2-ylium CC1OC(OCC2OC(OC3=C(OC4=CC(O)=CC5=[O+]C(C)=CC3=C45)C3=CC(O)=C(O)C=C3)C(O)C(O)C2O)C(O)C(O)C1O InChI=1S/C30H32O15/c1-10-5-14-20-17(41-10)7-13(31)8-18(20)43-27(12-3-4-15(32)16(33)6-12)28(14)45-30-26(39)24(37)22(35)19(44-30)9-40-29-25(38)23(36)21(34)11(2)42-29/h3-8,11,19,21-26,29-30,34-39H,9H2,1-2H3,(H2-,31,32,33)/p+1 GRVWOSCJMHVOJT-UHFFFAOYSA-O belongs to the class of organic compounds known as flavonoid-3-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. Flavonoid-3-O-glycosides Organic compounds Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Aromatic heteropolycyclic compounds 1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 4'-hydroxyflavonoids 7-hydroxyflavonoids Acetals Benzene and substituted derivatives Catechols Disaccharides Heteroaromatic compounds Hydrocarbon derivatives O-glycosyl compounds Organic cations Oxacyclic compounds Oxanes Polyols Secondary alcohols 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 4'-hydroxyflavonoid 7-hydroxyflavonoid Acetal Alcohol Aromatic heteropolycyclic compound Benzenoid Benzopyran Catechol Disaccharide Flavonoid-3-o-glycoside Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety O-glycosyl compound Organic cation Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Polyol Secondary alcohol logp 0.96 ALOGPS logs -3.03 ALOGPS solubility 6.19e-01 g/l ALOGPS logp -1.8 ChemAxon pka_strongest_acidic 2.87 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 7-(3,4-dihydroxyphenyl)-11-hydroxy-3-methyl-6-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-2λ⁴,8-dioxatricyclo[7.3.1.0⁵,¹³]trideca-1,3,5(13),6,9,11-hexaen-2-ylium ChemAxon average_mass 633.574 ChemAxon mono_mass 633.181945386 ChemAxon smiles CC1OC(OCC2OC(OC3=C(OC4=CC(O)=CC5=[O+]C(C)=CC3=C45)C3=CC(O)=C(O)C=C3)C(O)C(O)C2O)C(O)C(O)C1O ChemAxon formula C30H33O15 ChemAxon inchi InChI=1S/C30H32O15/c1-10-5-14-20-17(41-10)7-13(31)8-18(20)43-27(12-3-4-15(32)16(33)6-12)28(14)45-30-26(39)24(37)22(35)19(44-30)9-40-29-25(38)23(36)21(34)11(2)42-29/h3-8,11,19,21-26,29-30,34-39H,9H2,1-2H3,(H2-,31,32,33)/p+1 ChemAxon inchikey GRVWOSCJMHVOJT-UHFFFAOYSA-O ChemAxon polar_surface_area 241.36 ChemAxon refractivity 161.01 ChemAxon polarizability 61.71 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 14 ChemAxon donor_count 9 ChemAxon physiological_charge 0 ChemAxon formal_charge 1 ChemAxon Specdb::MsMs 84333 Specdb::MsMs 84334 Specdb::MsMs 84335 Specdb::MsMs 146163 Specdb::MsMs 146164 Specdb::MsMs 146165 Specdb::MsMs 2354518 Specdb::MsMs 2354519 Specdb::MsMs 2354520 Specdb::CMs 19557 Specdb::CMs 589284 Specdb::CMs 589285 Specdb::CMs 589286 Specdb::CMs 589287 Specdb::CMs 589288 Specdb::CMs 589289 Specdb::CMs 589290 Specdb::CMs 589291 Specdb::CMs 589292 Specdb::CMs 589293 Specdb::CMs 589294 Specdb::CMs 589295 Specdb::CMs 589296 Specdb::CMs 589297 Specdb::CMs 589298 Specdb::CMs 589299 Specdb::CMs 589300 Specdb::CMs 589301 Specdb::CMs 589302 Specdb::CMs 589303 Specdb::CMs 589304 Specdb::CMs 589305 Specdb::CMs 589306 Specdb::CMs 589307 Specdb::NmrOneD 131258 Specdb::NmrOneD 131259 Specdb::NmrOneD 131260 Specdb::NmrOneD 131261 Specdb::NmrOneD 131262 Specdb::NmrOneD 131263 Specdb::NmrOneD 131264 Specdb::NmrOneD 131265 Specdb::NmrOneD 131266 Specdb::NmrOneD 131267 Specdb::NmrOneD 131268 Specdb::NmrOneD 131269 Specdb::NmrOneD 131270 Specdb::NmrOneD 131271 Specdb::NmrOneD 131272 Specdb::NmrOneD 131273 Specdb::NmrOneD 131274 Specdb::NmrOneD 131275 Specdb::NmrOneD 131276 Specdb::NmrOneD 131277 HMDB35420 #<Reference:0x000055ce31fb7368> Fruits Unknown generic