1.0 2010-04-08 22:12:57 UTC 2019-11-26 03:14:24 UTC FDB017199 Delphinidin 3-rhamnoside 5-glucoside Isolated from peas and beans. Delphinidin 3-rhamnoside 5-glucoside is found in pulses and common pea. Delphinidin 5-glucoside 3-rhamnoside C27H31O16 611.5254 611.161209944 7-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-2-(3,4,5-trihydroxyphenyl)-1λ⁴-chromen-1-ylium 7-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-2-(3,4,5-trihydroxyphenyl)-1λ⁴-chromen-1-ylium 53925-31-8 CC1OC(OC2=C([O+]=C3C=C(O)C=C(OC4OC(CO)C(O)C(O)C4O)C3=C2)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1O InChI=1S/C27H30O16/c1-8-18(32)21(35)23(37)26(39-8)42-16-6-11-14(40-25(16)9-2-12(30)19(33)13(31)3-9)4-10(29)5-15(11)41-27-24(38)22(36)20(34)17(7-28)43-27/h2-6,8,17-18,20-24,26-28,32,34-38H,7H2,1H3,(H3-,29,30,31,33)/p+1 IEMQNRLOUXMJQV-UHFFFAOYSA-O belongs to the class of organic compounds known as anthocyanidin-5-o-glycosides. These are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C5-position. Anthocyanidin-5-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 Anthocyanidin-3-O-glycosides Anthocyanidins Benzene and substituted derivatives Flavonoid-3-O-glycosides Heteroaromatic compounds Hydrocarbon derivatives Monosaccharides O-glycosyl compounds Organic cations Oxacyclic compounds Oxanes Phenolic glycosides Polyols Primary alcohols 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 Anthocyanidin Anthocyanidin-3-o-glycoside Anthocyanidin-5-o-glycoside Aromatic heteropolycyclic compound Benzenetriol Benzenoid Benzopyran Flavonoid-3-o-glycoside Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic cation Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenolic glycoside Polyol Primary alcohol Pyrogallol derivative Secondary alcohol logp 0.37 ALOGPS logs -2.80 ALOGPS solubility 1.02e+00 g/l ALOGPS logp -1.5 ChemAxon pka_strongest_acidic 6.61 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 7-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-2-(3,4,5-trihydroxyphenyl)-1λ⁴-chromen-1-ylium ChemAxon average_mass 611.5254 ChemAxon mono_mass 611.161209944 ChemAxon smiles CC1OC(OC2=C([O+]=C3C=C(O)C=C(OC4OC(CO)C(O)C(O)C4O)C3=C2)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1O ChemAxon formula C27H31O16 ChemAxon inchi InChI=1S/C27H30O16/c1-8-18(32)21(35)23(37)26(39-8)42-16-6-11-14(40-25(16)9-2-12(30)19(33)13(31)3-9)4-10(29)5-15(11)41-27-24(38)22(36)20(34)17(7-28)43-27/h2-6,8,17-18,20-24,26-28,32,34-38H,7H2,1H3,(H3-,29,30,31,33)/p+1 ChemAxon inchikey IEMQNRLOUXMJQV-UHFFFAOYSA-O ChemAxon polar_surface_area 272.59 ChemAxon refractivity 148.84 ChemAxon polarizability 57.9 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 15 ChemAxon donor_count 11 ChemAxon physiological_charge 0 ChemAxon formal_charge 1 ChemAxon Specdb::MsMs 80271 Specdb::MsMs 80272 Specdb::MsMs 80273 Specdb::MsMs 141096 Specdb::MsMs 141097 Specdb::MsMs 141098 Specdb::MsMs 2364547 Specdb::MsMs 2364548 Specdb::MsMs 2364549 Specdb::NmrOneD 24342 Specdb::NmrOneD 24343 Specdb::NmrOneD 24344 Specdb::NmrOneD 24345 Specdb::NmrOneD 24346 Specdb::NmrOneD 24347 Specdb::NmrOneD 24348 Specdb::NmrOneD 24349 Specdb::NmrOneD 24350 Specdb::NmrOneD 24351 Specdb::NmrOneD 24352 Specdb::NmrOneD 24353 Specdb::NmrOneD 24354 Specdb::NmrOneD 24355 Specdb::NmrOneD 24356 Specdb::NmrOneD 24357 Specdb::NmrOneD 24358 Specdb::NmrOneD 24359 Specdb::NmrOneD 24360 Specdb::NmrOneD 24361 Specdb::CMs 15515 Specdb::CMs 45636 Specdb::CMs 519397 Specdb::CMs 519398 Specdb::CMs 519399 Specdb::CMs 519400 Specdb::CMs 519401 Specdb::CMs 519402 Specdb::CMs 519403 Specdb::CMs 519404 Specdb::CMs 519405 Specdb::CMs 519406 Specdb::CMs 519407 Specdb::CMs 519408 Specdb::CMs 519409 Specdb::CMs 519410 Specdb::CMs 519411 Specdb::CMs 519412 Specdb::CMs 519413 Specdb::CMs 519414 Specdb::CMs 519415 Specdb::CMs 519416 Specdb::CMs 519417 Specdb::CMs 519418 Specdb::CMs 519419 HMDB38002 #<Reference:0x000055ce330a4cc0> Common pea Type 1 specific Pisum sativum 3888 Pulses Unknown generic