1.0 2010-04-08 22:11:17 UTC 2019-11-26 03:10:08 UTC FDB014476 Hovenoside D Constituent of leaves of Hovenia dulcis (raisin tree). Hovenoside D is found in fruits. Hovenoside D C57H92O26 1193.3248 1192.587683116 2-({3,4-dihydroxy-6-[(5-hydroxy-2-{[16-hydroxy-2,6,6,10,16-pentamethyl-18-(2-methylprop-1-en-1-yl)-19,21-dioxahexacyclo[18.2.1.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0¹⁵,²⁰]tricosan-7-yl]oxy}-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-4-yl)oxy]-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}methoxy)-6-(hydroxymethyl)oxane-3,4,5-triol 2-({3,4-dihydroxy-6-[(5-hydroxy-2-{[16-hydroxy-2,6,6,10,16-pentamethyl-18-(2-methylprop-1-en-1-yl)-19,21-dioxahexacyclo[18.2.1.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0¹⁵,²⁰]tricosan-7-yl]oxy}-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-4-yl)oxy]-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}methoxy)-6-(hydroxymethyl)oxane-3,4,5-triol 68144-22-9 CC(C)=CC1CC(C)(O)C2C3CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(COC8OC(CO)C(O)C(O)C8O)C(O)C(O)C7OC7OCC(O)C(O)C7O)C6OC6OCC(O)C(O)C6O)C(C)(C)C5CCC4(C)C33COC2(C3)O1 InChI=1S/C57H92O26/c1-23(2)14-24-15-55(7,71)46-25-8-9-32-53(5)12-11-33(52(3,4)31(53)10-13-54(32,6)56(25)21-57(46,83-24)76-22-56)79-50-45(82-49-41(69)35(63)27(60)18-73-49)43(28(61)19-74-50)80-51-44(81-48-40(68)34(62)26(59)17-72-48)39(67)37(65)30(78-51)20-75-47-42(70)38(66)36(64)29(16-58)77-47/h14,24-51,58-71H,8-13,15-22H2,1-7H3 UOTFAVQIRLMJFF-UHFFFAOYSA-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 Hydrocarbon derivatives Ketals Naphthalenes Naphthopyrans O-glycosyl compounds Oligosaccharides Oxacyclic compounds Oxanes Polyols Primary alcohols Pyrans Secondary alcohols Steroids and steroid derivatives Tertiary alcohols Tetrahydrofurans Acetal Alcohol Aliphatic heteropolycyclic compound Glycosyl compound Hydrocarbon derivative Ketal Naphthalene Naphthopyran O-glycosyl compound Oligosaccharide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Pyran Secondary alcohol Steroid Tertiary alcohol Tetrahydrofuran Triterpenoid logp -0.34 ALOGPS logs -2.72 ALOGPS solubility 2.30e+00 g/l ALOGPS melting_point Mp 205-210° logp -2 ChemAxon pka_strongest_acidic 11.75 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 2-({3,4-dihydroxy-6-[(5-hydroxy-2-{[16-hydroxy-2,6,6,10,16-pentamethyl-18-(2-methylprop-1-en-1-yl)-19,21-dioxahexacyclo[18.2.1.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0¹⁵,²⁰]tricosan-7-yl]oxy}-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-4-yl)oxy]-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}methoxy)-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 1193.3248 ChemAxon mono_mass 1192.587683116 ChemAxon smiles CC(C)=CC1CC(C)(O)C2C3CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(COC8OC(CO)C(O)C(O)C8O)C(O)C(O)C7OC7OCC(O)C(O)C7O)C6OC6OCC(O)C(O)C6O)C(C)(C)C5CCC4(C)C33COC2(C3)O1 ChemAxon formula C57H92O26 ChemAxon inchi InChI=1S/C57H92O26/c1-23(2)14-24-15-55(7,71)46-25-8-9-32-53(5)12-11-33(52(3,4)31(53)10-13-54(32,6)56(25)21-57(46,83-24)76-22-56)79-50-45(82-49-41(69)35(63)27(60)18-73-49)43(28(61)19-74-50)80-51-44(81-48-40(68)34(62)26(59)17-72-48)39(67)37(65)30(78-51)20-75-47-42(70)38(66)36(64)29(16-58)77-47/h14,24-51,58-71H,8-13,15-22H2,1-7H3 ChemAxon inchikey UOTFAVQIRLMJFF-UHFFFAOYSA-N ChemAxon polar_surface_area 393.98 ChemAxon refractivity 278.99 ChemAxon polarizability 125.22 ChemAxon rotatable_bond_count 13 ChemAxon acceptor_count 26 ChemAxon donor_count 14 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 44307 Specdb::MsMs 44308 Specdb::MsMs 44309 Specdb::MsMs 156348 Specdb::MsMs 156349 Specdb::MsMs 156350 Specdb::MsMs 2450593 Specdb::MsMs 2450594 Specdb::MsMs 2450595 Specdb::MsMs 2488425 Specdb::MsMs 2488426 Specdb::MsMs 2488427 Specdb::NmrOneD 132518 Specdb::NmrOneD 132519 Specdb::NmrOneD 132520 Specdb::NmrOneD 132521 Specdb::NmrOneD 132522 Specdb::NmrOneD 132523 Specdb::NmrOneD 132524 Specdb::NmrOneD 132525 Specdb::NmrOneD 132526 Specdb::NmrOneD 132527 Specdb::NmrOneD 132528 Specdb::NmrOneD 132529 Specdb::NmrOneD 132530 Specdb::NmrOneD 132531 Specdb::NmrOneD 132532 Specdb::NmrOneD 132533 Specdb::NmrOneD 132534 Specdb::NmrOneD 132535 Specdb::NmrOneD 132536 Specdb::NmrOneD 132537 HMDB35746 #<Reference:0x000055ce32c564c0> Fruits Unknown generic