1.0 2010-04-08 22:11:05 UTC 2025-11-19 00:43:50 UTC FDB014099 Pyranodelphinin A Constituent of the seeds of Ribes nigrum (blackcurrant). Pyranodelphinin A is found in fruits. Pyranodelphinin A C30H33O16 649.5734 649.176860008 11-hydroxy-3-methyl-6-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-7-(3,4,5-trihydroxyphenyl)-2λ⁴,8-dioxatricyclo[7.3.1.0⁵,¹³]trideca-1,3,5(13),6,9,11-hexaen-2-ylium 11-hydroxy-3-methyl-6-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-7-(3,4,5-trihydroxyphenyl)-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(O)=C3)C(O)C(O)C2O)C(O)C(O)C1O InChI=1S/C30H32O16/c1-9-3-13-19-16(42-9)6-12(31)7-17(19)44-27(11-4-14(32)21(35)15(33)5-11)28(13)46-30-26(40)24(38)22(36)18(45-30)8-41-29-25(39)23(37)20(34)10(2)43-29/h3-7,10,18,20,22-26,29-30,34,36-40H,8H2,1-2H3,(H3-,31,32,33,35)/p+1 WHYNSYVOUJQHTR-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 Disaccharides Heteroaromatic compounds Hydrocarbon derivatives O-glycosyl compounds Organic cations Oxacyclic compounds Oxanes Polyols Pyrogallols and derivatives 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 Benzenetriol Benzenoid Benzopyran 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 Pyrogallol derivative Secondary alcohol logp 0.96 ALOGPS logs -3.01 ALOGPS solubility 6.74e-01 g/l ALOGPS logp -2.1 ChemAxon pka_strongest_acidic 2.87 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 11-hydroxy-3-methyl-6-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-7-(3,4,5-trihydroxyphenyl)-2λ⁴,8-dioxatricyclo[7.3.1.0⁵,¹³]trideca-1,3,5(13),6,9,11-hexaen-2-ylium ChemAxon average_mass 649.5734 ChemAxon mono_mass 649.176860008 ChemAxon smiles CC1OC(OCC2OC(OC3=C(OC4=CC(O)=CC5=[O+]C(C)=CC3=C45)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O)C(O)C(O)C1O ChemAxon formula C30H33O16 ChemAxon inchi InChI=1S/C30H32O16/c1-9-3-13-19-16(42-9)6-12(31)7-17(19)44-27(11-4-14(32)21(35)15(33)5-11)28(13)46-30-26(40)24(38)22(36)18(45-30)8-41-29-25(39)23(37)20(34)10(2)43-29/h3-7,10,18,20,22-26,29-30,34,36-40H,8H2,1-2H3,(H3-,31,32,33,35)/p+1 ChemAxon inchikey WHYNSYVOUJQHTR-UHFFFAOYSA-O ChemAxon polar_surface_area 261.59 ChemAxon refractivity 162.99 ChemAxon polarizability 62.78 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 15 ChemAxon donor_count 10 ChemAxon physiological_charge 0 ChemAxon formal_charge 1 ChemAxon Specdb::CMs 24691 Specdb::CMs 640453 Specdb::CMs 640454 Specdb::CMs 640455 Specdb::CMs 640456 Specdb::CMs 640457 Specdb::CMs 640458 Specdb::CMs 640459 Specdb::CMs 640460 Specdb::CMs 640461 Specdb::CMs 640462 Specdb::CMs 640463 Specdb::CMs 640464 Specdb::CMs 640465 Specdb::CMs 640466 Specdb::CMs 640467 Specdb::CMs 640468 Specdb::CMs 640469 Specdb::CMs 640470 Specdb::CMs 640471 Specdb::CMs 640472 Specdb::CMs 640473 Specdb::CMs 640474 Specdb::CMs 640475 Specdb::CMs 640476 Specdb::MsMs 84222 Specdb::MsMs 84223 Specdb::MsMs 84224 Specdb::MsMs 146007 Specdb::MsMs 146008 Specdb::MsMs 146009 Specdb::MsMs 2821664 Specdb::MsMs 2821665 Specdb::MsMs 2821666 Specdb::NmrOneD 131278 Specdb::NmrOneD 131279 Specdb::NmrOneD 131280 Specdb::NmrOneD 131281 Specdb::NmrOneD 131282 Specdb::NmrOneD 131283 Specdb::NmrOneD 131284 Specdb::NmrOneD 131285 Specdb::NmrOneD 131286 Specdb::NmrOneD 131287 Specdb::NmrOneD 131288 Specdb::NmrOneD 131289 Specdb::NmrOneD 131290 Specdb::NmrOneD 131291 Specdb::NmrOneD 131292 Specdb::NmrOneD 131293 Specdb::NmrOneD 131294 Specdb::NmrOneD 131295 Specdb::NmrOneD 131296 Specdb::NmrOneD 131297 HMDB35421 #<Reference:0x000055ce3360d360> Fruits Unknown generic