1.0 2010-04-08 22:15:11 UTC 2019-11-26 03:19:16 UTC FDB020664 15-Oxo-21-hydroxymabiogenin 3-[rhamnosyl-(1->6)-glucoside] Constituent of Colubrina elliptica (mabi). 15-Oxo-21-hydroxymabiogenin 3-[rhamnosyl-(1->6)-glucoside] is found in beverages. 15-Oxo-21-hydroxymabiogenin 3-(6''-rhamnosylglucoside) 15-Oxo-21-hydroxymabiogenin 3-[rhamnosyl-(1->6)-glucoside] 15-Oxo-21-hydroxymabiogenin 3-O-[a-L-rhamnopyranosyl-(1->6)-b-D-glucopyranoside] 15-Oxo-21-hydroxymabiogenin 3-O-[a-L-rhamnosyl-(1->6)-b-D-glucoside] Mabioside B?? C42H66O15 810.9644 810.440171442 (1R,2R,5S,6R,9S,10R,14R,17S)-5-(hydroxymethyl)-1,2,14,18,18-pentamethyl-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]henicosane-3,8-dione (1R,2R,5S,6R,9S,10R,14R,17S)-5-(hydroxymethyl)-1,2,14,18,18-pentamethyl-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]henicosane-3,8-dione 156980-29-9 [H][C@@]12C(=O)O[C@H](CC=C(C)C)[C@]1(CO)OC(=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/C42H66O15/c1-19(2)9-12-26-42(18-43)27(34(50)55-26)21-10-11-24-39(6)15-14-25(38(4,5)23(39)13-16-40(24,7)41(21,8)37(51)57-42)56-36-33(49)31(47)29(45)22(54-36)17-52-35-32(48)30(46)28(44)20(3)53-35/h9,20-33,35-36,43-49H,10-18H2,1-8H3/t20-,21+,22+,23?,24?,25-,26+,27+,28-,29+,30+,31-,32+,33+,35+,36-,39-,40+,41-,42-/m0/s1 XSSCNYMOFYTAGP-PEFDFOJDSA-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-oxosteroids 18-hydroxysteroids Acetals Carbonyl compounds Carboxylic acid esters Delta valerolactones Dicarboxylic acids and derivatives Disaccharides Diterpene glycosides Diterpene lactones Diterpenoids Furans Furopyrans Gamma butyrolactones Hydrocarbon derivatives Naphthalenes Naphthopyrans O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Oxasteroids and derivatives Polyols Primary alcohols Pyrans Secondary alcohols Steroid lactones Tetrahydrofurans 11-oxosteroid 16-oxasteroid 18-hydroxysteroid Acetal Alcohol Aliphatic heteropolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Delta valerolactone Delta_valerolactone Dicarboxylic acid or derivatives Disaccharide Diterpene glycoside Diterpene lactone Diterpenoid Furan Furopyran Gamma butyrolactone Glycosyl compound Hydrocarbon derivative Hydroxysteroid Lactone Naphthalene Naphthopyran O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Oxosteroid Polyol Primary alcohol Pyran Secondary alcohol Steroid lactone Steroidal glycoside Terpene glycoside Tetrahydrofuran logp 2.56 ALOGPS logs -3.71 ALOGPS solubility 1.58e-01 g/l ALOGPS logp 2.22 ChemAxon pka_strongest_acidic 11.92 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac (1R,2R,5S,6R,9S,10R,14R,17S)-5-(hydroxymethyl)-1,2,14,18,18-pentamethyl-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]henicosane-3,8-dione ChemAxon average_mass 810.9644 ChemAxon mono_mass 810.440171442 ChemAxon smiles [H][C@@]12C(=O)O[C@H](CC=C(C)C)[C@]1(CO)OC(=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 C42H66O15 ChemAxon inchi InChI=1S/C42H66O15/c1-19(2)9-12-26-42(18-43)27(34(50)55-26)21-10-11-24-39(6)15-14-25(38(4,5)23(39)13-16-40(24,7)41(21,8)37(51)57-42)56-36-33(49)31(47)29(45)22(54-36)17-52-35-32(48)30(46)28(44)20(3)53-35/h9,20-33,35-36,43-49H,10-18H2,1-8H3/t20-,21+,22+,23?,24?,25-,26+,27+,28-,29+,30+,31-,32+,33+,35+,36-,39-,40+,41-,42-/m0/s1 ChemAxon inchikey XSSCNYMOFYTAGP-PEFDFOJDSA-N ChemAxon polar_surface_area 231.13 ChemAxon refractivity 199.98 ChemAxon polarizability 87.79 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 13 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 287839 Specdb::MsMs 287840 Specdb::MsMs 287841 Specdb::MsMs 326785 Specdb::MsMs 326786 Specdb::MsMs 326787 Specdb::MsMs 2664208 Specdb::MsMs 2664209 Specdb::MsMs 2664210 Specdb::MsMs 3017247 Specdb::MsMs 3017248 Specdb::MsMs 3017249 Specdb::CMs 790151 Specdb::CMs 790152 Specdb::CMs 790153 Specdb::CMs 790154 Specdb::CMs 790155 Specdb::CMs 790156 Specdb::CMs 790157 HMDB40840 #<Reference:0x000055ce320f3880> Beverages Unknown generic