1.0 2010-04-08 22:11:39 UTC 2025-11-19 00:52:44 UTC FDB015110 Schidigerasaponin C1 Constituent of Yucca schidigera (Mojave yucca). Schidigerasaponin C1 is found in fruits. Schidigerasaponin C1 C44H70O18 887.0158 886.456215436 2-{[5-hydroxy-6-(hydroxymethyl)-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]-2-{7',9',13'-trimethyl-5-methylidene-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-15'-oloxy}oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol 2-{[5-hydroxy-6-(hydroxymethyl)-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]-2-{7',9',13'-trimethyl-5-methylidene-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-15'-oloxy}oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol 266997-35-7 CC1C2C(CC3C4CCC5CC(OC6OC(CO)C(O)C(OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(O)CC5(C)C4CCC23C)OC11CCC(=C)CO1 InChI=1S/C44H70O18/c1-18-7-10-44(56-16-18)19(2)30-27(62-44)12-23-21-6-5-20-11-26(24(47)13-43(20,4)22(21)8-9-42(23,30)3)57-41-38(61-40-36(54)34(52)32(50)28(14-45)58-40)37(33(51)29(15-46)59-41)60-39-35(53)31(49)25(48)17-55-39/h19-41,45-54H,1,5-17H2,2-4H3 SEEFJRURFRVKII-UHFFFAOYSA-N belongs to the class of organic compounds known as steroidal saponins. These are saponins in which the aglycone moiety is a steroid. The steroidal aglycone is usually a spirostane, furostane, spirosolane, solanidane, or curcubitacin derivative. Steroidal saponins Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal glycosides Aliphatic heteropolycyclic compounds Cyclic alcohols and derivatives Hydrocarbon derivatives Hydroxysteroids Ketals O-glycosyl compounds Oligosaccharides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Spirostanes and derivatives Tetrahydrofurans Triterpenoids 2-hydroxysteroid Acetal Alcohol Aliphatic heteropolycyclic compound Cyclic alcohol Glycosyl compound Hydrocarbon derivative Hydroxysteroid Ketal O-glycosyl compound Oligosaccharide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Spirostane skeleton Steroidal saponin Tetrahydrofuran Triterpenoid logp -0.88 ALOGPS logs -2.92 ALOGPS solubility 1.07e+00 g/l ALOGPS logp -0.69 ChemAxon pka_strongest_acidic 11.89 ChemAxon pka_strongest_basic -3.2 ChemAxon iupac 2-{[5-hydroxy-6-(hydroxymethyl)-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]-2-{7',9',13'-trimethyl-5-methylidene-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-15'-oloxy}oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 887.0158 ChemAxon mono_mass 886.456215436 ChemAxon smiles CC1C2C(CC3C4CCC5CC(OC6OC(CO)C(O)C(OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(O)CC5(C)C4CCC23C)OC11CCC(=C)CO1 ChemAxon formula C44H70O18 ChemAxon inchi InChI=1S/C44H70O18/c1-18-7-10-44(56-16-18)19(2)30-27(62-44)12-23-21-6-5-20-11-26(24(47)13-43(20,4)22(21)8-9-42(23,30)3)57-41-38(61-40-36(54)34(52)32(50)28(14-45)58-40)37(33(51)29(15-46)59-41)60-39-35(53)31(49)25(48)17-55-39/h19-41,45-54H,1,5-17H2,2-4H3 ChemAxon inchikey SEEFJRURFRVKII-UHFFFAOYSA-N ChemAxon polar_surface_area 276.14 ChemAxon refractivity 211.76 ChemAxon polarizability 94.43 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 18 ChemAxon donor_count 10 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 134618 Specdb::NmrOneD 134619 Specdb::NmrOneD 134620 Specdb::NmrOneD 134621 Specdb::NmrOneD 134622 Specdb::NmrOneD 134623 Specdb::NmrOneD 134624 Specdb::NmrOneD 134625 Specdb::NmrOneD 134626 Specdb::NmrOneD 134627 Specdb::NmrOneD 134628 Specdb::NmrOneD 134629 Specdb::NmrOneD 134630 Specdb::NmrOneD 134631 Specdb::NmrOneD 134632 Specdb::NmrOneD 134633 Specdb::NmrOneD 134634 Specdb::NmrOneD 134635 Specdb::NmrOneD 134636 Specdb::NmrOneD 134637 Specdb::MsMs 8723 Specdb::MsMs 8724 Specdb::MsMs 8725 Specdb::MsMs 15395 Specdb::MsMs 15396 Specdb::MsMs 15397 Specdb::MsMs 2675578 Specdb::MsMs 2675579 Specdb::MsMs 2675580 Specdb::MsMs 3033665 Specdb::MsMs 3033666 Specdb::MsMs 3033667 HMDB36250 #<Reference:0x000055ce31df89c8> Fruits Unknown generic