1.0 2010-04-08 22:15:02 UTC 2018-05-29 01:46:38 UTC FDB020454 Hoduloside VII Constituent of Hovenia dulcis (raisin tree) Hoduloside VII C47H78O18 931.1114 930.518815692 5-({4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-14-[(4E)-2,6-dihydroxy-6-methylhept-4-en-2-yl]-2,6,6,10-tetramethyl-11-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-13-one 5-({4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-14-[(4E)-2,6-dihydroxy-6-methylhept-4-en-2-yl]-2,6,6,10-tetramethyl-11-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-13-one 154971-11-6 CC1OC(OC2C(O)C(O)COC2OC2CCC3(C)C(CCC4(C)C3CCC3C(C(=O)CC43COC3OC(CO)C(O)C(O)C3O)C(C)(O)C\C=C\C(C)(C)O)C2(C)C)C(O)C(O)C1O InChI=1S/C47H78O18/c1-22-31(51)34(54)37(57)40(62-22)65-38-32(52)25(50)20-60-41(38)64-29-13-16-44(6)27(43(29,4)5)12-17-45(7)28(44)11-10-23-30(46(8,59)15-9-14-42(2,3)58)24(49)18-47(23,45)21-61-39-36(56)35(55)33(53)26(19-48)63-39/h9,14,22-23,25-41,48,50-59H,10-13,15-21H2,1-8H3/b14-9+ YAFOSOWHFJFSLN-NTEUORMPSA-N belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Triterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Triterpenoids Aliphatic heteropolycyclic compounds 16-oxosteroids Acetals Cyclic ketones Disaccharides Hydrocarbon derivatives Hydroxysteroids O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Steroidal glycosides Tertiary alcohols 16-oxosteroid 20-hydroxysteroid 25-hydroxysteroid Acetal Alcohol Aliphatic heteropolycyclic compound Carbonyl group Cyclic ketone Disaccharide Glycosyl compound Hydrocarbon derivative Hydroxysteroid Ketone O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Oxosteroid Polyol Primary alcohol Secondary alcohol Steroid Steroidal glycoside Tertiary alcohol Triterpenoid logp 1.01 ALOGPS logs -3.44 ALOGPS solubility 3.42e-01 g/l ALOGPS logp -0.19 ChemAxon pka_strongest_acidic 11.87 ChemAxon pka_strongest_basic -3.5 ChemAxon iupac 5-({4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-14-[(4E)-2,6-dihydroxy-6-methylhept-4-en-2-yl]-2,6,6,10-tetramethyl-11-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-13-one ChemAxon average_mass 931.1114 ChemAxon mono_mass 930.518815692 ChemAxon smiles CC1OC(OC2C(O)C(O)COC2OC2CCC3(C)C(CCC4(C)C3CCC3C(C(=O)CC43COC3OC(CO)C(O)C(O)C3O)C(C)(O)C\C=C\C(C)(C)O)C2(C)C)C(O)C(O)C1O ChemAxon formula C47H78O18 ChemAxon inchi InChI=1S/C47H78O18/c1-22-31(51)34(54)37(57)40(62-22)65-38-32(52)25(50)20-60-41(38)64-29-13-16-44(6)27(43(29,4)5)12-17-45(7)28(44)11-10-23-30(46(8,59)15-9-14-42(2,3)58)24(49)18-47(23,45)21-61-39-36(56)35(55)33(53)26(19-48)63-39/h9,14,22-23,25-41,48,50-59H,10-13,15-21H2,1-8H3/b14-9+ ChemAxon inchikey YAFOSOWHFJFSLN-NTEUORMPSA-N ChemAxon polar_surface_area 294.98 ChemAxon refractivity 229.69 ChemAxon polarizability 100.84 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 18 ChemAxon donor_count 11 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 305614 Specdb::MsMs 305615 Specdb::MsMs 305616 Specdb::MsMs 349048 Specdb::MsMs 349049 Specdb::MsMs 349050 Specdb::MsMs 2260330 Specdb::MsMs 2260331 Specdb::MsMs 2260332 Specdb::MsMs 3077886 Specdb::MsMs 3077887 Specdb::MsMs 3077888 Specdb::NmrOneD 42602 Specdb::NmrOneD 42603 Specdb::NmrOneD 42604 Specdb::NmrOneD 42605 Specdb::NmrOneD 42606 Specdb::NmrOneD 42607 Specdb::NmrOneD 42608 Specdb::NmrOneD 42609 Specdb::NmrOneD 42610 Specdb::NmrOneD 42611 Specdb::NmrOneD 42612 Specdb::NmrOneD 42613 Specdb::NmrOneD 42614 Specdb::NmrOneD 42615 Specdb::NmrOneD 42616 Specdb::NmrOneD 42617 Specdb::NmrOneD 42618 Specdb::NmrOneD 42619 Specdb::NmrOneD 42620 Specdb::NmrOneD 42621 HMDB40659 #<Reference:0x000055ce332b53c0>