1.0 2010-04-08 22:15:30 UTC 2025-11-19 02:35:44 UTC FDB021138 6''-O-Acetylvicenin 1 Constituent of Prosopis chilensis (algarrobo blanco). 6''-O-Acetylvicenin 1 is found in green vegetables. 6''-O-Acetylvicenin 1 Vicenin-1 6''-O-acetate C28H30O15 606.5288 606.15847029 {6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-6-(3,4,5-trihydroxyoxan-2-yl)-4H-chromen-8-yl]-3,4,5-trihydroxyoxan-2-yl}methyl acetate {6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-6-(3,4,5-trihydroxyoxan-2-yl)chromen-8-yl]-3,4,5-trihydroxyoxan-2-yl}methyl acetate 163345-99-1 CC(=O)OCC1OC(C(O)C(O)C1O)C1=C2OC(=CC(=O)C2=C(O)C(C2OCC(O)C(O)C2O)=C1O)C1=CC=C(O)C=C1 InChI=1S/C28H30O15/c1-9(29)40-8-15-20(34)23(37)25(39)28(43-15)18-22(36)17(27-24(38)19(33)13(32)7-41-27)21(35)16-12(31)6-14(42-26(16)18)10-2-4-11(30)5-3-10/h2-6,13,15,19-20,23-25,27-28,30,32-39H,7-8H2,1H3 AIQCDEJOKQHKMO-UHFFFAOYSA-N belongs to the class of organic compounds known as flavonoid 8-c-glycosides. Flavonoid 8-C-glycosides are compounds containing a carbohydrate moiety which is C-glycosidically linked to 8-position of a 2-phenylchromen-4-one flavonoid backbone. Flavonoid 8-C-glycosides Organic compounds Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Benzene and substituted derivatives C-glycosyl compounds Carbonyl compounds Carboxylic acid esters Chromones Dialkyl ethers Flavones Heteroaromatic compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives Monosaccharides Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Polyols Pyranones and derivatives Secondary alcohols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid Alcohol Aromatic heteropolycyclic compound Benzenoid Benzopyran C-glycosyl compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Chromone Dialkyl ether Ether Flavone Flavonoid-8-c-glycoside Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Monocarboxylic acid or derivatives Monocyclic benzene moiety Monosaccharide Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenolic glycoside Polyol Pyran Pyranone Secondary alcohol Vinylogous acid logp -0.21 ALOGPS logs -2.17 ALOGPS solubility 4.14e+00 g/l ALOGPS logp -1.7 ChemAxon pka_strongest_acidic 5.76 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac {6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-6-(3,4,5-trihydroxyoxan-2-yl)-4H-chromen-8-yl]-3,4,5-trihydroxyoxan-2-yl}methyl acetate ChemAxon average_mass 606.5288 ChemAxon mono_mass 606.15847029 ChemAxon smiles CC(=O)OCC1OC(C(O)C(O)C1O)C1=C2OC(=CC(=O)C2=C(O)C(C2OCC(O)C(O)C2O)=C1O)C1=CC=C(O)C=C1 ChemAxon formula C28H30O15 ChemAxon inchi InChI=1S/C28H30O15/c1-9(29)40-8-15-20(34)23(37)25(39)28(43-15)18-22(36)17(27-24(38)19(33)13(32)7-41-27)21(35)16-12(31)6-14(42-26(16)18)10-2-4-11(30)5-3-10/h2-6,13,15,19-20,23-25,27-28,30,32-39H,7-8H2,1H3 ChemAxon inchikey AIQCDEJOKQHKMO-UHFFFAOYSA-N ChemAxon polar_surface_area 253.13 ChemAxon refractivity 142.34 ChemAxon polarizability 58.82 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 14 ChemAxon donor_count 9 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 315490 Specdb::MsMs 315491 Specdb::MsMs 315492 Specdb::MsMs 361489 Specdb::MsMs 361490 Specdb::MsMs 361491 Specdb::MsMs 2750407 Specdb::MsMs 2750408 Specdb::MsMs 2750409 Specdb::MsMs 2927698 Specdb::MsMs 2927699 Specdb::MsMs 2927700 Specdb::NmrOneD 45582 Specdb::NmrOneD 45583 Specdb::NmrOneD 45584 Specdb::NmrOneD 45585 Specdb::NmrOneD 45586 Specdb::NmrOneD 45587 Specdb::NmrOneD 45588 Specdb::NmrOneD 45589 Specdb::NmrOneD 45590 Specdb::NmrOneD 45591 Specdb::NmrOneD 45592 Specdb::NmrOneD 45593 Specdb::NmrOneD 45594 Specdb::NmrOneD 45595 Specdb::NmrOneD 45596 Specdb::NmrOneD 45597 Specdb::NmrOneD 45598 Specdb::NmrOneD 45599 Specdb::NmrOneD 45600 Specdb::NmrOneD 45601 Specdb::CMs 22288 Specdb::CMs 47196 Specdb::CMs 479720 Specdb::CMs 479721 Specdb::CMs 479722 Specdb::CMs 479723 Specdb::CMs 479724 Specdb::CMs 479725 Specdb::CMs 479726 Specdb::CMs 479727 Specdb::CMs 479728 Specdb::CMs 479729 Specdb::CMs 479730 Specdb::CMs 479731 Specdb::CMs 479732 Specdb::CMs 479733 Specdb::CMs 479734 Specdb::CMs 479735 Specdb::CMs 479736 Specdb::CMs 479737 Specdb::CMs 479738 Specdb::CMs 479739 Specdb::CMs 479740 Specdb::CMs 479741 Specdb::CMs 479742 HMDB41235 #<Reference:0x000055ce32ade020> Green vegetables Unknown generic