1.0 2010-04-08 22:12:56 UTC 2019-11-26 03:14:22 UTC FDB017187 Cyanidin 3-rhamnoside 5-glucoside Isolated from Pisum species and Lathyrus odoratus [CCD]. Cyanidin 3-rhamnoside 5-glucoside is found in common pea. Cyanidin 3-rhamnoside-5-glucoside Cyanidin 5-glucoside 3-rhamnoside C27H31O15 595.526 595.166295322 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-1λ⁴-chromen-1-ylium 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-1λ⁴-chromen-1-ylium 53859-12-4 CC1OC(OC2=C([O+]=C3C=C(O)C=C(OC4OC(CO)C(O)C(O)C4O)C3=C2)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(38-9)41-17-7-12-15(39-25(17)10-2-3-13(30)14(31)4-10)5-11(29)6-16(12)40-27-24(37)22(35)20(33)18(8-28)42-27/h2-7,9,18-24,26-28,32-37H,8H2,1H3,(H2-,29,30,31)/p+1 MVXCPXSXBRABAU-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 Catechols Flavonoid-3-O-glycosides Heteroaromatic compounds Hydrocarbon derivatives Monosaccharides O-glycosyl compounds Organic cations Oxacyclic compounds Oxanes Phenolic glycosides Polyols Primary alcohols 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 Benzenoid Benzopyran Catechol 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 Secondary alcohol logp 0.43 ALOGPS logs -2.83 ALOGPS solubility 9.27e-01 g/l ALOGPS logp -1.2 ChemAxon pka_strongest_acidic 6.65 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-1λ⁴-chromen-1-ylium ChemAxon average_mass 595.526 ChemAxon mono_mass 595.166295322 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=C2)C(O)C(O)C1O ChemAxon formula C27H31O15 ChemAxon inchi InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(38-9)41-17-7-12-15(39-25(17)10-2-3-13(30)14(31)4-10)5-11(29)6-16(12)40-27-24(37)22(35)20(33)18(8-28)42-27/h2-7,9,18-24,26-28,32-37H,8H2,1H3,(H2-,29,30,31)/p+1 ChemAxon inchikey MVXCPXSXBRABAU-UHFFFAOYSA-O ChemAxon polar_surface_area 252.36 ChemAxon refractivity 146.86 ChemAxon polarizability 56.87 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 14 ChemAxon donor_count 10 ChemAxon physiological_charge 0 ChemAxon formal_charge 1 ChemAxon Specdb::MsMs 96921 Specdb::MsMs 96922 Specdb::MsMs 96923 Specdb::MsMs 161532 Specdb::MsMs 161533 Specdb::MsMs 161534 Specdb::MsMs 3099955 Specdb::MsMs 3099956 Specdb::MsMs 3099957 Specdb::NmrOneD 24222 Specdb::NmrOneD 24223 Specdb::NmrOneD 24224 Specdb::NmrOneD 24225 Specdb::NmrOneD 24226 Specdb::NmrOneD 24227 Specdb::NmrOneD 24228 Specdb::NmrOneD 24229 Specdb::NmrOneD 24230 Specdb::NmrOneD 24231 Specdb::NmrOneD 24232 Specdb::NmrOneD 24233 Specdb::NmrOneD 24234 Specdb::NmrOneD 24235 Specdb::NmrOneD 24236 Specdb::NmrOneD 24237 Specdb::NmrOneD 24238 Specdb::NmrOneD 24239 Specdb::NmrOneD 24240 Specdb::NmrOneD 24241 Specdb::CMs 23676 Specdb::CMs 45632 Specdb::CMs 283043 Specdb::CMs 446632 Specdb::CMs 446633 Specdb::CMs 446634 Specdb::CMs 446635 Specdb::CMs 446636 Specdb::CMs 446637 Specdb::CMs 446638 Specdb::CMs 446639 Specdb::CMs 446640 Specdb::CMs 446641 Specdb::CMs 446642 Specdb::CMs 446643 Specdb::CMs 446644 Specdb::CMs 446645 Specdb::CMs 446646 Specdb::CMs 446647 Specdb::CMs 446648 Specdb::CMs 446649 Specdb::CMs 446650 Specdb::CMs 446651 Specdb::CMs 446652 Specdb::CMs 446653 HMDB37993 #<Reference:0x000055ce31809878> Common pea Type 1 specific Pisum sativum 3888