1.0 2010-04-08 22:14:25 UTC 2025-11-19 02:20:36 UTC FDB019552 Cloversaponin I Constituent of Trifolium repens (white clover). Cloversaponin I is found in tea, herbs and spices, and green vegetables. Cloversaponin I C36H56O9 632.8244 632.39243339 3,4,5-trihydroxy-6-{[4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-9-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}oxane-2-carboxylic acid 3,4,5-trihydroxy-6-{[4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-9-oxo-2,3,4a,5,6,7,8,10,12,12a,14,14a-dodecahydro-1H-picen-3-yl]oxy}oxane-2-carboxylic acid 143519-22-6 CC1(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6O)C(O)=O)C(C)(CO)C5CCC4(C)C3(C)CCC2(C)C(=O)C1 InChI=1S/C36H56O9/c1-31(2)16-20-19-8-9-22-33(4)12-11-24(44-30-27(41)25(39)26(40)28(45-30)29(42)43)34(5,18-37)21(33)10-13-36(22,7)35(19,6)15-14-32(20,3)23(38)17-31/h8,20-22,24-28,30,37,39-41H,9-18H2,1-7H3,(H,42,43) CBJRVPYJFXDQDY-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 Beta hydroxy acids and derivatives Carboxylic acids Hydrocarbon derivatives Ketones Monocarboxylic acids and derivatives Monosaccharides O-glucuronides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Pyrans Secondary alcohols Steroids and steroid derivatives Triterpenoids 1-o-glucuronide Acetal Alcohol Aliphatic heteropolycyclic compound Beta-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Glucuronic acid or derivatives Glycosyl compound Hydrocarbon derivative Hydroxy acid Ketone Monocarboxylic acid or derivatives Monosaccharide O-glucuronide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Pyran Secondary alcohol Steroid Triterpene saponin Triterpenoid logp 4.23 ALOGPS logs -4.70 ALOGPS solubility 1.25e-02 g/l ALOGPS logp 4 ChemAxon pka_strongest_acidic 3.52 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 3,4,5-trihydroxy-6-{[4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-9-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}oxane-2-carboxylic acid ChemAxon average_mass 632.8244 ChemAxon mono_mass 632.39243339 ChemAxon smiles CC1(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6O)C(O)=O)C(C)(CO)C5CCC4(C)C3(C)CCC2(C)C(=O)C1 ChemAxon formula C36H56O9 ChemAxon inchi InChI=1S/C36H56O9/c1-31(2)16-20-19-8-9-22-33(4)12-11-24(44-30-27(41)25(39)26(40)28(45-30)29(42)43)34(5,18-37)21(33)10-13-36(22,7)35(19,6)15-14-32(20,3)23(38)17-31/h8,20-22,24-28,30,37,39-41H,9-18H2,1-7H3,(H,42,43) ChemAxon inchikey CBJRVPYJFXDQDY-UHFFFAOYSA-N ChemAxon polar_surface_area 153.75 ChemAxon refractivity 166.66 ChemAxon polarizability 71.38 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 9 ChemAxon donor_count 5 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 93195 Specdb::MsMs 93196 Specdb::MsMs 93197 Specdb::MsMs 156924 Specdb::MsMs 156925 Specdb::MsMs 156926 Specdb::MsMs 2280109 Specdb::MsMs 2280110 Specdb::MsMs 2280111 Specdb::MsMs 3089503 Specdb::MsMs 3089504 Specdb::MsMs 3089505 Specdb::CMs 9827 Specdb::CMs 588516 Specdb::CMs 588517 Specdb::CMs 588518 Specdb::CMs 588519 Specdb::CMs 588520 Specdb::CMs 588521 Specdb::CMs 588522 Specdb::CMs 588523 Specdb::CMs 588524 Specdb::CMs 588525 Specdb::CMs 588526 Specdb::CMs 588527 Specdb::CMs 588528 Specdb::CMs 588529 Specdb::CMs 588530 Specdb::CMs 588531 Specdb::CMs 588532 Specdb::CMs 588533 Specdb::CMs 588534 Specdb::CMs 588535 Specdb::CMs 588536 Specdb::CMs 588537 Specdb::CMs 588538 Specdb::CMs 588539 HMDB39892 #<Reference:0x000055ce32325db0> Black tea Type 1 Green tea Type 1 Green vegetables Unknown generic Herbal tea Type 1 Herbs and Spices Unknown generic Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442