1.0 2010-04-08 22:13:35 UTC 2025-11-19 02:10:27 UTC FDB018246 Calendoflaside Isolated from Calendula officinalis (pot marigold) Calendoflaside Isorhamnetin 3-rhamnosyl-(1->2)-rhamnoside C28H32O15 608.5447 608.174120354 3-({4,5-dihydroxy-6-methyl-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one 3-({4,5-dihydroxy-6-methyl-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one 121064-69-5 COC1=C(O)C=CC(=C1)C1=C(OC2OC(C)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)C(=O)C2=C(O)C=C(O)C=C2O1 InChI=1S/C28H32O15/c1-9-18(32)21(35)23(37)27(39-9)43-26-22(36)19(33)10(2)40-28(26)42-25-20(34)17-14(31)7-12(29)8-16(17)41-24(25)11-4-5-13(30)15(6-11)38-3/h4-10,18-19,21-23,26-33,35-37H,1-3H3 FZQRUXCCSWOZFJ-UHFFFAOYSA-N 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-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-O-methylated flavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Acetals Alkyl aryl ethers Anisoles Chromones Disaccharides Flavones Heteroaromatic compounds Hydrocarbon derivatives Methoxybenzenes Methoxyphenols O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenoxy compounds Polyols Pyranones and derivatives Secondary alcohols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3p-methoxyflavonoid-skeleton 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid Acetal Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Disaccharide Ether Flavone Flavonoid-3-o-glycoside Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Methoxybenzene Methoxyphenol Monocyclic benzene moiety O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenol ether Phenoxy compound Polyol Pyran Pyranone Secondary alcohol Vinylogous acid logp 0.83 ALOGPS logs -2.45 ALOGPS solubility 2.14e+00 g/l ALOGPS logp 0.32 ChemAxon pka_strongest_acidic 6.44 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 3-({4,5-dihydroxy-6-methyl-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one ChemAxon average_mass 608.5447 ChemAxon mono_mass 608.174120354 ChemAxon smiles COC1=C(O)C=CC(=C1)C1=C(OC2OC(C)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)C(=O)C2=C(O)C=C(O)C=C2O1 ChemAxon formula C28H32O15 ChemAxon inchi InChI=1S/C28H32O15/c1-9-18(32)21(35)23(37)27(39-9)43-26-22(36)19(33)10(2)40-28(26)42-25-20(34)17-14(31)7-12(29)8-16(17)41-24(25)11-4-5-13(30)15(6-11)38-3/h4-10,18-19,21-23,26-33,35-37H,1-3H3 ChemAxon inchikey FZQRUXCCSWOZFJ-UHFFFAOYSA-N ChemAxon polar_surface_area 234.29 ChemAxon refractivity 143.08 ChemAxon polarizability 58.79 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 15 ChemAxon donor_count 8 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 67446 Specdb::MsMs 67447 Specdb::MsMs 67448 Specdb::MsMs 125271 Specdb::MsMs 125272 Specdb::MsMs 125273 Specdb::MsMs 2673988 Specdb::MsMs 2673989 Specdb::MsMs 2673990 Specdb::MsMs 3032012 Specdb::MsMs 3032013 Specdb::MsMs 3032014 Specdb::CMs 26187 Specdb::CMs 46081 Specdb::CMs 494517 Specdb::CMs 494518 Specdb::CMs 494519 Specdb::CMs 494520 Specdb::CMs 494521 Specdb::CMs 494522 Specdb::CMs 494523 Specdb::CMs 494524 Specdb::CMs 494525 Specdb::CMs 494526 Specdb::CMs 494527 Specdb::CMs 494528 Specdb::CMs 494529 Specdb::CMs 494530 Specdb::CMs 494531 Specdb::CMs 494532 Specdb::CMs 494533 Specdb::CMs 494534 Specdb::CMs 494535 Specdb::CMs 494536 Specdb::CMs 494537 Specdb::CMs 494538 Specdb::CMs 494539 HMDB38819 #<Reference:0x000055ce32d58490>