1.0 2010-04-08 22:10:48 UTC 2025-11-19 00:06:40 UTC FDB013611 Lucuminic acid Constituent of Calocarpum sapota (marmalade plum). Lucuminic acid is found in fruits. Lucuminic acid C19H26O12 446.4025 446.142426296 2-phenyl-2-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]acetic acid phenyl[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]acetic acid 190323-48-9 OC1COC(OCC2OC(OC(C(O)=O)C3=CC=CC=C3)C(O)C(O)C2O)C(O)C1O InChI=1S/C19H26O12/c20-9-6-28-18(14(24)11(9)21)29-7-10-12(22)13(23)15(25)19(30-10)31-16(17(26)27)8-4-2-1-3-5-8/h1-5,9-16,18-25H,6-7H2,(H,26,27) DUZCTLMSDUOYAW-UHFFFAOYSA-N belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. O-glycosyl compounds Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aromatic heteromonocyclic compounds Acetals Benzene and substituted derivatives Carbonyl compounds Carboxylic acids Disaccharides Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Oxanes Polyols Secondary alcohols Acetal Alcohol Aromatic heteromonocyclic compound Benzenoid Carbonyl group Carboxylic acid Carboxylic acid derivative Disaccharide Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety O-glycosyl compound Organic oxide Organoheterocyclic compound Oxacycle Oxane Polyol Secondary alcohol logp -1.86 ALOGPS logs -1.19 ALOGPS solubility 2.87e+01 g/l ALOGPS logp -2 ChemAxon pka_strongest_acidic 3.36 ChemAxon pka_strongest_basic -3.5 ChemAxon iupac 2-phenyl-2-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]acetic acid ChemAxon average_mass 446.4025 ChemAxon mono_mass 446.142426296 ChemAxon smiles OC1COC(OCC2OC(OC(C(O)=O)C3=CC=CC=C3)C(O)C(O)C2O)C(O)C1O ChemAxon formula C19H26O12 ChemAxon inchi InChI=1S/C19H26O12/c20-9-6-28-18(14(24)11(9)21)29-7-10-12(22)13(23)15(25)19(30-10)31-16(17(26)27)8-4-2-1-3-5-8/h1-5,9-16,18-25H,6-7H2,(H,26,27) ChemAxon inchikey DUZCTLMSDUOYAW-UHFFFAOYSA-N ChemAxon polar_surface_area 195.6 ChemAxon refractivity 97.57 ChemAxon polarizability 42.8 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 12 ChemAxon donor_count 7 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23113 Specdb::CMs 44132 Specdb::CMs 164731 Specdb::MsMs 58914 Specdb::MsMs 58915 Specdb::MsMs 58916 Specdb::MsMs 114945 Specdb::MsMs 114946 Specdb::MsMs 114947 Specdb::MsMs 2320748 Specdb::MsMs 2320749 Specdb::MsMs 2320750 Specdb::MsMs 2613964 Specdb::MsMs 2613965 Specdb::MsMs 2613966 Specdb::NmrOneD 129498 Specdb::NmrOneD 129499 Specdb::NmrOneD 129500 Specdb::NmrOneD 129501 Specdb::NmrOneD 129502 Specdb::NmrOneD 129503 Specdb::NmrOneD 129504 Specdb::NmrOneD 129505 Specdb::NmrOneD 129506 Specdb::NmrOneD 129507 Specdb::NmrOneD 129508 Specdb::NmrOneD 129509 Specdb::NmrOneD 129510 Specdb::NmrOneD 129511 Specdb::NmrOneD 129512 Specdb::NmrOneD 129513 Specdb::NmrOneD 129514 Specdb::NmrOneD 129515 Specdb::NmrOneD 129516 Specdb::NmrOneD 129517 HMDB35007 #<Reference:0x000055ce31dc6d60> Fruits Unknown generic