1.0 2010-04-08 22:13:19 UTC 2019-11-26 03:15:16 UTC FDB017807 Vomifoliol 9-[glucosyl-(1->4)-xylosyl-(1->6)-glucoside] Constituent of fruit of apples (Malus sylvestris). Vomifoliol 9-[glucosyl-(1->4)-xylosyl-(1->6)-glucoside] is found in malus (crab apple) and pomes. Vomifoliol 9-[glucosyl-(1->4)-xylosyl-(1->6)-glucoside] Vomifoliol 9-O-[b-D-glucopyranosyl-(1->4)-b-D-xylopyranosyl-(1->6)-b-D-glucopyranoside] Vomifoliol 9-O-[b-D-glucosyl-(1->4)-b-D-xylosyl-(1->6)-b-D-glucoside] Vomifoliol-glu-xyl-glu C30H48O17 680.6919 680.28915011 4-[(1E)-3-[(6-{[(3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl)oxy]but-1-en-1-yl]-4-hydroxy-3,5,5-trimethylcyclohex-2-en-1-one 4-[(1E)-3-[(6-{[(3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl)oxy]but-1-en-1-yl]-4-hydroxy-3,5,5-trimethylcyclohex-2-en-1-one 141947-49-1 CC(OC1OC(COC2OCC(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O)\C=C\C1(O)C(C)=CC(=O)CC1(C)C InChI=1S/C30H48O17/c1-12-7-14(32)8-29(3,4)30(12,41)6-5-13(2)44-27-24(39)22(37)19(34)16(46-27)10-42-26-23(38)20(35)17(11-43-26)47-28-25(40)21(36)18(33)15(9-31)45-28/h5-7,13,15-28,31,33-41H,8-11H2,1-4H3/b6-5+ UGIAZMRSYPJDAZ-AATRIKPKSA-N belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds. Oligosaccharides Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aliphatic heteromonocyclic compounds Acetals Alkyl glycosides Cyclohexenones Hydrocarbon derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Sesquiterpenoids Tertiary alcohols Acetal Alcohol Aliphatic heteromonocyclic compound Alkyl glycoside Carbonyl group Cyclic ketone Cyclofarsesane sesquiterpenoid Cyclohexenone Fatty acyl Fatty acyl glycoside Glycosyl compound Hydrocarbon derivative Ionone derivative Ketone Megastigmane sesquiterpenoid O-glycosyl compound Oligosaccharide Organic oxide Organoheterocyclic compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Sesquiterpenoid Tertiary alcohol logp -1.59 ALOGPS logs -1.94 ALOGPS solubility 7.75e+00 g/l ALOGPS logp -3.3 ChemAxon pka_strongest_acidic 11.76 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 4-[(1E)-3-[(6-{[(3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl)oxy]but-1-en-1-yl]-4-hydroxy-3,5,5-trimethylcyclohex-2-en-1-one ChemAxon average_mass 680.6919 ChemAxon mono_mass 680.28915011 ChemAxon smiles CC(OC1OC(COC2OCC(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O)\C=C\C1(O)C(C)=CC(=O)CC1(C)C ChemAxon formula C30H48O17 ChemAxon inchi InChI=1S/C30H48O17/c1-12-7-14(32)8-29(3,4)30(12,41)6-5-13(2)44-27-24(39)22(37)19(34)16(46-27)10-42-26-23(38)20(35)17(11-43-26)47-28-25(40)21(36)18(33)15(9-31)45-28/h5-7,13,15-28,31,33-41H,8-11H2,1-4H3/b6-5+ ChemAxon inchikey UGIAZMRSYPJDAZ-AATRIKPKSA-N ChemAxon polar_surface_area 274.75 ChemAxon refractivity 156.2 ChemAxon polarizability 68.55 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 17 ChemAxon donor_count 10 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11616 Specdb::CMs 723506 Specdb::CMs 723507 Specdb::CMs 723508 Specdb::CMs 723509 Specdb::CMs 723510 Specdb::CMs 723511 Specdb::CMs 723512 Specdb::CMs 723513 Specdb::CMs 723514 Specdb::CMs 723515 Specdb::CMs 723516 Specdb::CMs 723517 Specdb::CMs 723518 Specdb::CMs 723519 Specdb::CMs 723520 Specdb::CMs 723521 Specdb::CMs 723522 Specdb::CMs 723523 Specdb::CMs 723524 Specdb::CMs 723525 Specdb::CMs 723526 Specdb::CMs 723527 Specdb::CMs 723528 Specdb::CMs 723529 Specdb::MsMs 52947 Specdb::MsMs 52948 Specdb::MsMs 52949 Specdb::MsMs 126738 Specdb::MsMs 126739 Specdb::MsMs 126740 Specdb::MsMs 2694603 Specdb::MsMs 2694604 Specdb::MsMs 2694605 Specdb::MsMs 2987606 Specdb::MsMs 2987607 Specdb::MsMs 2987608 Specdb::NmrOneD 26682 Specdb::NmrOneD 26683 Specdb::NmrOneD 26684 Specdb::NmrOneD 26685 Specdb::NmrOneD 26686 Specdb::NmrOneD 26687 Specdb::NmrOneD 26688 Specdb::NmrOneD 26689 Specdb::NmrOneD 26690 Specdb::NmrOneD 26691 Specdb::NmrOneD 26692 Specdb::NmrOneD 26693 Specdb::NmrOneD 26694 Specdb::NmrOneD 26695 Specdb::NmrOneD 26696 Specdb::NmrOneD 26697 Specdb::NmrOneD 26698 Specdb::NmrOneD 26699 Specdb::NmrOneD 26700 Specdb::NmrOneD 26701 HMDB38449 #<Reference:0x000055ce32385468> Malus (Crab apple) Type 1 specific Malus 3749 Pomes Unknown generic