1.0 2010-04-08 22:15:15 UTC 2019-11-26 03:19:26 UTC FDB020787 Mabiogenin 3-[rhamnosyl-(1->6)-glucoside] Constituent of Colubrina elliptica (mabi). Mabiogenin 3-[rhamnosyl-(1->6)-glucoside] is found in beverages. Mabiogenin 3-[rhamnosyl-(1->6)-glucoside] Mabiogenin 3-O-[a-L-rhamnopyranosyl-(1->6)-b-D-glucopyranoside] Mabiogenin 3-O-[a-L-rhamnosyl-(1->6)-b-D-glucoside] Mabioside C? C42H68O14 796.9809 796.460906884 (1R,2R,3S,5R,6R,9S,10R,14R,17S)-3-hydroxy-1,2,5,14,18,18-hexamethyl-6-(3-methylbut-2-en-1-yl)-17-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4,7-dioxapentacyclo[11.8.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁹]henicosan-8-one (1R,2R,3S,5R,6R,9S,10R,14R,17S)-3-hydroxy-1,2,5,14,18,18-hexamethyl-6-(3-methylbut-2-en-1-yl)-17-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4,7-dioxapentacyclo[11.8.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁹]henicosan-8-one 328-39-2 [H][C@@]12C(=O)O[C@H](CC=C(C)C)[C@]1(C)O[C@H](O)[C@]1(C)[C@]2([H])CCC2[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)C3CC[C@@]12C InChI=1S/C42H68O14/c1-19(2)10-13-26-42(9)27(34(49)54-26)21-11-12-24-39(6)16-15-25(38(4,5)23(39)14-17-40(24,7)41(21,8)37(50)56-42)55-36-33(48)31(46)29(44)22(53-36)18-51-35-32(47)30(45)28(43)20(3)52-35/h10,20-33,35-37,43-48,50H,11-18H2,1-9H3/t20-,21+,22+,23?,24?,25-,26+,27+,28-,29+,30+,31-,32+,33+,35+,36-,37-,39-,40+,41-,42-/m0/s1 DJTBMSMWOCJLIX-CFRPBXSBSA-N belongs to the class of organic compounds known as steroidal glycosides. These are sterol lipids containing a carbohydrate moiety glycosidically linked to the steroid skeleton. Steroidal glycosides Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal glycosides Aliphatic heteropolycyclic compounds 11-beta-hydroxysteroids Acetals Carbonyl compounds Carboxylic acid esters Disaccharides Diterpene glycosides Diterpene lactones Diterpenoids Furans Furopyrans Gamma butyrolactones Hemiacetals Hydrocarbon derivatives Monocarboxylic acids and derivatives Naphthalenes Naphthopyrans O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Oxasteroids and derivatives Polyols Pyrans Secondary alcohols Steroid lactones Tetrahydrofurans 11-beta-hydroxysteroid 11-hydroxysteroid 16-oxasteroid Acetal Alcohol Aliphatic heteropolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Disaccharide Diterpene glycoside Diterpene lactone Diterpenoid Furan Furopyran Gamma butyrolactone Glycosyl compound Hemiacetal Hydrocarbon derivative Hydroxysteroid Lactone Monocarboxylic acid or derivatives Naphthalene Naphthopyran O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Pyran Secondary alcohol Steroid lactone Steroidal glycoside Terpene glycoside Tetrahydrofuran logp 3.04 ALOGPS logs -3.94 ALOGPS solubility 9.11e-02 g/l ALOGPS logp 2.93 ChemAxon pka_strongest_acidic 11.62 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac (1R,2R,3S,5R,6R,9S,10R,14R,17S)-3-hydroxy-1,2,5,14,18,18-hexamethyl-6-(3-methylbut-2-en-1-yl)-17-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4,7-dioxapentacyclo[11.8.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁹]henicosan-8-one ChemAxon average_mass 796.9809 ChemAxon mono_mass 796.460906884 ChemAxon smiles [H][C@@]12C(=O)O[C@H](CC=C(C)C)[C@]1(C)O[C@H](O)[C@]1(C)[C@]2([H])CCC2[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)C3CC[C@@]12C ChemAxon formula C42H68O14 ChemAxon inchi InChI=1S/C42H68O14/c1-19(2)10-13-26-42(9)27(34(49)54-26)21-11-12-24-39(6)16-15-25(38(4,5)23(39)14-17-40(24,7)41(21,8)37(50)56-42)55-36-33(48)31(46)29(44)22(53-36)18-51-35-32(47)30(45)28(43)20(3)52-35/h10,20-33,35-37,43-48,50H,11-18H2,1-9H3/t20-,21+,22+,23?,24?,25-,26+,27+,28-,29+,30+,31-,32+,33+,35+,36-,37-,39-,40+,41-,42-/m0/s1 ChemAxon inchikey DJTBMSMWOCJLIX-CFRPBXSBSA-N ChemAxon polar_surface_area 214.06 ChemAxon refractivity 199.51 ChemAxon polarizability 87.84 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 13 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 787563 Specdb::CMs 787564 Specdb::CMs 787565 Specdb::CMs 787566 Specdb::CMs 787567 Specdb::CMs 787568 Specdb::CMs 787569 Specdb::MsMs 288964 Specdb::MsMs 288965 Specdb::MsMs 288966 Specdb::MsMs 328243 Specdb::MsMs 328244 Specdb::MsMs 328245 Specdb::MsMs 2438821 Specdb::MsMs 2438822 Specdb::MsMs 2438823 Specdb::MsMs 2523822 Specdb::MsMs 2523823 Specdb::MsMs 2523824 HMDB40943 #<Reference:0x000055ce329325c8> Beverages Unknown generic