1.0 2010-04-08 22:10:12 UTC 2019-11-26 03:06:52 UTC FDB012478 Schottenol 3-glucoside Constituent of citron-melon fruits (Citrullus lanatus variety citroides). Schottenol 3-glucoside is found in watermelon, fruits, and spinach. (3b,5a,24R)-Stigmast-7-en-3-ol 3-glucoside (3b,5a,24R)-Stigmast-7-en-3-ol 3-O-b-D-glucopyranoside (3b,5a,24R)-Stigmast-7-en-3-ol 3-O-b-D-glucoside beta-D-Glucopyranoside, (3beta,5alpha)-stigmast-7-en-3-yl Schottenol 3-glucoside Schottenol beta-D-glucoside Schottenol glucoside C35H60O6 576.8473 576.438989652 2-{[14-(5-ethyl-6-methylheptan-2-yl)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-5-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol 2-{[14-(5-ethyl-6-methylheptan-2-yl)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-5-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol 61376-86-1 CCC(CCC(C)C1CCC2C3=CCC4CC(CCC4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1O)C(C)C InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h11,20-24,26-33,36-39H,7-10,12-19H2,1-6H3 XWPUVGRUJWXYTP-UHFFFAOYSA-N belongs to the class of organic compounds known as stigmastanes and derivatives. These are sterol lipids with a structure based on the stigmastane skeleton, which consists of a cholestane moiety bearing an ethyl group at the carbon atom C24. Stigmastanes and derivatives Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Stigmastanes and derivatives Aliphatic heteropolycyclic compounds Acetals Delta-7-steroids Hexoses Hydrocarbon derivatives O-glycosyl compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Steroidal glycosides Triterpenoids Acetal Alcohol Aliphatic heteropolycyclic compound Delta-7-steroid Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Monosaccharide O-glycosyl compound Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Steroidal glycoside Stigmastane-skeleton Triterpenoid logp 6.37 ALOGPS logs -5.27 ALOGPS solubility 3.07e-03 g/l ALOGPS logp 6.07 ChemAxon pka_strongest_acidic 12.21 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-{[14-(5-ethyl-6-methylheptan-2-yl)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-5-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 576.8473 ChemAxon mono_mass 576.438989652 ChemAxon smiles CCC(CCC(C)C1CCC2C3=CCC4CC(CCC4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1O)C(C)C ChemAxon formula C35H60O6 ChemAxon inchi InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h11,20-24,26-33,36-39H,7-10,12-19H2,1-6H3 ChemAxon inchikey XWPUVGRUJWXYTP-UHFFFAOYSA-N ChemAxon polar_surface_area 99.38 ChemAxon refractivity 162.18 ChemAxon polarizability 68.9 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19264 Specdb::CMs 43751 Specdb::CMs 282449 Specdb::CMs 377595 Specdb::CMs 377596 Specdb::CMs 377597 Specdb::CMs 377598 Specdb::CMs 377599 Specdb::CMs 377600 Specdb::CMs 377601 Specdb::CMs 377602 Specdb::CMs 377603 Specdb::CMs 377604 Specdb::CMs 377605 Specdb::CMs 377606 Specdb::CMs 377607 Specdb::CMs 377608 Specdb::CMs 377609 Specdb::CMs 377610 Specdb::CMs 377611 Specdb::CMs 377612 Specdb::CMs 377613 Specdb::CMs 377614 Specdb::CMs 377615 Specdb::CMs 377616 Specdb::MsMs 54792 Specdb::MsMs 54793 Specdb::MsMs 54794 Specdb::MsMs 114990 Specdb::MsMs 114991 Specdb::MsMs 114992 Specdb::MsMs 2445541 Specdb::MsMs 2445542 Specdb::MsMs 2445543 Specdb::MsMs 2517228 Specdb::MsMs 2517229 Specdb::MsMs 2517230 HMDB34185 #<Reference:0x000055ce33473bd0> Fruits Unknown generic Spinach Type 1 specific Spinacia oleracea 3562 Watermelon Type 1 specific Citrullus lanatus 3654