1.0 2010-04-08 22:11:27 UTC 2019-11-26 03:10:42 UTC FDB014749 Cyclopassifloside IV Constituent of Passiflora edulis (passion fruit). Cyclopassifloside IV is found in fruits. Cyclopassifloside IV C37H62O12 698.881 698.424127448 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 4,6-dihydroxy-7,12,16-trimethyl-15-[2,5,6-trihydroxy-5-(propan-2-yl)hexan-2-yl]pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecane-7-carboxylate 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 4,6-dihydroxy-7,12,16-trimethyl-15-(2,5,6-trihydroxy-5-isopropylhexan-2-yl)pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecane-7-carboxylate 292167-41-0 CC(C)C(O)(CO)CCC(C)(O)C1CCC2(C)C3CCC4C5(CC35CCC12C)C(O)CC(O)C4(C)C(=O)OC1OC(CO)C(O)C(O)C1O InChI=1S/C37H62O12/c1-19(2)36(47,18-39)14-12-33(5,46)21-9-10-31(3)22-7-8-23-34(6,30(45)49-29-28(44)27(43)26(42)20(16-38)48-29)24(40)15-25(41)37(23)17-35(22,37)13-11-32(21,31)4/h19-29,38-44,46-47H,7-18H2,1-6H3 SDQDTRRWJPGVGF-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 1-hydroxysteroids 11-hydroxysteroids 3-hydroxysteroids Acetals Alkyl glycosides Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acid esters Cyclic alcohols and derivatives Cycloartanols and derivatives Fatty acyl glycosides of mono- and disaccharides Fatty alcohols Hexoses Hydrocarbon derivatives Hydroxy bile acids, alcohols and derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Tertiary alcohols Triterpenoids 1-hydroxysteroid 11-hydroxysteroid 20-hydroxysteroid 24-hydroxysteroid 25-hydroxysteroid 3-hydroxysteroid 9b,19-cyclo-lanostane-skeleton Acetal Alcohol Aliphatic heteropolycyclic compound Alkyl glycoside Beta-hydroxy acid Bile acid, alcohol, or derivatives Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cholane-skeleton Cyclic alcohol Cycloartane-skeleton Cycloartanol-skeleton Fatty acyl Fatty acyl glycoside Fatty acyl glycoside of mono- or disaccharide Fatty alcohol Hexahydroxy bile acid, alcohol, or derivatives Hexose monosaccharide Hydrocarbon derivative Hydroxy acid Hydroxy bile acid, alcohol, or derivatives Hydroxysteroid Monocarboxylic acid or derivatives Monosaccharide Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Steroid Tertiary alcohol Triterpene saponin Triterpenoid logp 1.24 ALOGPS logs -3.51 ALOGPS solubility 2.16e-01 g/l ALOGPS logp 0.18 ChemAxon pka_strongest_acidic 12.18 ChemAxon pka_strongest_basic -3 ChemAxon iupac 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 4,6-dihydroxy-7,12,16-trimethyl-15-[2,5,6-trihydroxy-5-(propan-2-yl)hexan-2-yl]pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecane-7-carboxylate ChemAxon average_mass 698.881 ChemAxon mono_mass 698.424127448 ChemAxon smiles CC(C)C(O)(CO)CCC(C)(O)C1CCC2(C)C3CCC4C5(CC35CCC12C)C(O)CC(O)C4(C)C(=O)OC1OC(CO)C(O)C(O)C1O ChemAxon formula C37H62O12 ChemAxon inchi InChI=1S/C37H62O12/c1-19(2)36(47,18-39)14-12-33(5,46)21-9-10-31(3)22-7-8-23-34(6,30(45)49-29-28(44)27(43)26(42)20(16-38)48-29)24(40)15-25(41)37(23)17-35(22,37)13-11-32(21,31)4/h19-29,38-44,46-47H,7-18H2,1-6H3 ChemAxon inchikey SDQDTRRWJPGVGF-UHFFFAOYSA-N ChemAxon polar_surface_area 217.6 ChemAxon refractivity 176.26 ChemAxon polarizability 77.18 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 11 ChemAxon donor_count 9 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 106875 Specdb::MsMs 106876 Specdb::MsMs 106877 Specdb::MsMs 173721 Specdb::MsMs 173722 Specdb::MsMs 173723 Specdb::MsMs 2676214 Specdb::MsMs 2676215 Specdb::MsMs 2676216 Specdb::MsMs 3029546 Specdb::MsMs 3029547 Specdb::MsMs 3029548 Specdb::CMs 748547 Specdb::CMs 748548 Specdb::CMs 748549 Specdb::CMs 748550 Specdb::CMs 748551 Specdb::CMs 748552 Specdb::CMs 748553 Specdb::CMs 748554 Specdb::CMs 748555 Specdb::CMs 748556 Specdb::CMs 748557 Specdb::CMs 748558 Specdb::CMs 748559 Specdb::CMs 748560 Specdb::CMs 748561 Specdb::CMs 748562 Specdb::CMs 748563 Specdb::CMs 748564 Specdb::CMs 748565 Specdb::CMs 748566 Specdb::CMs 748567 Specdb::CMs 748568 Specdb::CMs 748569 Specdb::CMs 748570 Specdb::CMs 748571 HMDB35946 #<Reference:0x000055ce32c56df8> Fruits Unknown generic