1.0 2010-04-08 22:12:08 UTC 2025-11-19 01:03:38 UTC FDB015934 28-Glucosyloleanolic acid 3-arabinoside Isolated from ginseng (Panax species). 28-Glucosyloleanolic acid 3-arabinoside is found in tea. 28-Glucosyloleanolic acid 3-arabinoside Oleanolic acid 3-O-a-L-arabinopyranoside 28-O-b-D-glucopyranosyl ester C41H66O12 750.9555 750.455427576 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 2,2,6a,6b,9,9,12a-heptamethyl-10-[(3,4,5-trihydroxyoxan-2-yl)oxy]-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 2,2,6a,6b,9,9,12a-heptamethyl-10-[(3,4,5-trihydroxyoxan-2-yl)oxy]-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylate 93091-75-9 CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O InChI=1S/C41H66O12/c1-36(2)14-16-41(35(49)53-34-32(48)30(46)29(45)24(19-42)51-34)17-15-39(6)21(22(41)18-36)8-9-26-38(5)12-11-27(37(3,4)25(38)10-13-40(26,39)7)52-33-31(47)28(44)23(43)20-50-33/h8,22-34,42-48H,9-20H2,1-7H3 VXRNZMDDBZNPKJ-UHFFFAOYSA-N belongs to the class of organic compounds known as triterpene saponins. These are glycosylated derivatives of triterpene sapogenins. The sapogenin moiety backbone is usually based on the oleanane, ursane, taraxastane, bauerane, lanostane, lupeol, lupane, dammarane, cycloartane, friedelane, hopane, 9b,19-cyclo-lanostane, cycloartane, or cycloartanol skeleton. Triterpene saponins Organic compounds Lipids and lipid-like molecules Prenol lipids Terpene glycosides Aliphatic heteropolycyclic compounds Acetals Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Monosaccharides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Triterpenoids Acetal Alcohol Aliphatic heteropolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Glycosyl compound Hydrocarbon derivative Monocarboxylic acid or derivatives Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Triterpene saponin Triterpenoid logp 3.55 ALOGPS logs -4.32 ALOGPS solubility 3.62e-02 g/l ALOGPS melting_point Mp 220° logp 3.19 ChemAxon pka_strongest_acidic 11.92 ChemAxon pka_strongest_basic -3 ChemAxon iupac 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 2,2,6a,6b,9,9,12a-heptamethyl-10-[(3,4,5-trihydroxyoxan-2-yl)oxy]-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate ChemAxon average_mass 750.9555 ChemAxon mono_mass 750.455427576 ChemAxon smiles CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O ChemAxon formula C41H66O12 ChemAxon inchi InChI=1S/C41H66O12/c1-36(2)14-16-41(35(49)53-34-32(48)30(46)29(45)24(19-42)51-34)17-15-39(6)21(22(41)18-36)8-9-26-38(5)12-11-27(37(3,4)25(38)10-13-40(26,39)7)52-33-31(47)28(44)23(43)20-50-33/h8,22-34,42-48H,9-20H2,1-7H3 ChemAxon inchikey VXRNZMDDBZNPKJ-UHFFFAOYSA-N ChemAxon polar_surface_area 195.6 ChemAxon refractivity 192.51 ChemAxon polarizability 83.19 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 11 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 50058 Specdb::MsMs 50059 Specdb::MsMs 50060 Specdb::MsMs 111576 Specdb::MsMs 111577 Specdb::MsMs 111578 Specdb::MsMs 2441779 Specdb::MsMs 2441780 Specdb::MsMs 2441781 Specdb::MsMs 2520038 Specdb::MsMs 2520039 Specdb::MsMs 2520040 Specdb::CMs 777571 Specdb::CMs 777572 Specdb::CMs 777573 Specdb::CMs 777574 Specdb::CMs 777575 Specdb::CMs 777576 Specdb::CMs 777577 Specdb::CMs 777578 Specdb::CMs 777579 Specdb::CMs 777580 Specdb::CMs 777581 Specdb::CMs 777582 Specdb::CMs 777583 Specdb::CMs 777584 Specdb::CMs 777585 Specdb::CMs 777586 Specdb::CMs 777587 Specdb::CMs 777588 Specdb::CMs 777589 Specdb::CMs 777590 Specdb::CMs 777591 Specdb::CMs 777592 Specdb::CMs 777593 Specdb::CMs 777594 Specdb::CMs 777595 HMDB36963 #<Reference:0x000055ce32862210> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442