1.0 2010-04-08 22:11:02 UTC 2019-11-26 03:09:26 UTC FDB014022 (3b,6a,12b,17a,20S)-Dammar-24-ene-3,6,12,17,20-pentol 20-[glucosyl-(1->2)-[rhamnosyl-(1->6)]-glucoside] 3-[glucosyl-(1->6)-glucoside] 6-xyloside Constituent of Cyclanthera pedata (achoccha). (3b,6a,12b,17a,20S)-Dammar-24-ene-3,6,12,17,20-pentol 20-[glucosyl-(1->2)-[rhamnosyl-(1->6)]-glucoside] 3-[glucosyl-(1->6)-glucoside] 6-xyloside is found in fruits. (3b,6a,12b,17a,20S)-Dammar-24-ene-3,6,12,17,20-pentol 20-[glucosyl-(1->2)-[rhamnosyl-(1->6)]-glucoside] 3-[glucosyl-(1->6)-glucoside] 6-xyloside (3b,6a,12b,17a,20S)-Dammar-24-ene-3,6,12,17,20-pentol 20-O-[b-D-glucopyranosyl-(1->2)-[a-L-rhamnopyranosyl-(1->6)]-b-D-glucopyranoside] 3-O-[b-D-glucopyranosyl-(1->6)-b-D-glucopyranoside] 6-O-b-D-xylopyranoside C65H110O33 1419.5491 1418.692936046 2-[(6-{[2-(14,16-dihydroxy-2,6,6,10,11-pentamethyl-5-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-8-[(3,4,5-trihydroxyoxan-2-yl)oxy]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl)-6-methylhept-5-en-2-yl]oxy}-3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)methoxy]-6-methyloxane-3,4,5-triol 2-[(6-{[2-(14,16-dihydroxy-2,6,6,10,11-pentamethyl-5-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-8-[(3,4,5-trihydroxyoxan-2-yl)oxy]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl)-6-methylhept-5-en-2-yl]oxy}-3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)methoxy]-6-methyloxane-3,4,5-triol 251101-59-4 CC1OC(OCC2OC(OC(C)(CCC=C(C)C)C3(O)CCC4(C)C3C(O)CC3C5(C)CCC(OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6O)C(C)(C)C5C(CC43C)OC3OCC(O)C(O)C3O)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O InChI=1S/C65H110O33/c1-24(2)11-10-13-64(9,98-59-51(97-58-50(85)43(78)38(73)30(20-67)93-58)45(80)40(75)32(95-59)23-88-54-47(82)41(76)35(70)25(3)90-54)65(86)16-15-62(7)52(65)26(68)17-33-61(6)14-12-34(60(4,5)53(61)28(18-63(33,62)8)91-55-46(81)36(71)27(69)21-87-55)96-57-49(84)44(79)39(74)31(94-57)22-89-56-48(83)42(77)37(72)29(19-66)92-56/h11,25-59,66-86H,10,12-23H2,1-9H3 SKEFDZGMYDGFOO-UHFFFAOYSA-N belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Triterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Triterpenoids Aliphatic heteropolycyclic compounds 12-hydroxysteroids 17-hydroxysteroids Acetals Alkyl glycosides Cyclic alcohols and derivatives Hydrocarbon derivatives O-glycosyl compounds Oligosaccharides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Steroidal glycosides Tertiary alcohols 12-hydroxysteroid 17-hydroxysteroid Acetal Alcohol Aliphatic heteropolycyclic compound Alkyl glycoside Cyclic alcohol Fatty acyl Fatty acyl glycoside Glycosyl compound Hydrocarbon derivative Hydroxysteroid O-glycosyl compound Oligosaccharide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Steroid Steroidal glycoside Tertiary alcohol Triterpenoid logp -1.17 ALOGPS logs -2.06 ALOGPS solubility 1.23e+01 g/l ALOGPS logp -5.8 ChemAxon pka_strongest_acidic 11.62 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 2-[(6-{[2-(14,16-dihydroxy-2,6,6,10,11-pentamethyl-5-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-8-[(3,4,5-trihydroxyoxan-2-yl)oxy]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl)-6-methylhept-5-en-2-yl]oxy}-3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)methoxy]-6-methyloxane-3,4,5-triol ChemAxon average_mass 1419.5491 ChemAxon mono_mass 1418.692936046 ChemAxon smiles CC1OC(OCC2OC(OC(C)(CCC=C(C)C)C3(O)CCC4(C)C3C(O)CC3C5(C)CCC(OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6O)C(C)(C)C5C(CC43C)OC3OCC(O)C(O)C3O)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O ChemAxon formula C65H110O33 ChemAxon inchi InChI=1S/C65H110O33/c1-24(2)11-10-13-64(9,98-59-51(97-58-50(85)43(78)38(73)30(20-67)93-58)45(80)40(75)32(95-59)23-88-54-47(82)41(76)35(70)25(3)90-54)65(86)16-15-62(7)52(65)26(68)17-33-61(6)14-12-34(60(4,5)53(61)28(18-63(33,62)8)91-55-46(81)36(71)27(69)21-87-55)96-57-49(84)44(79)39(74)31(94-57)22-89-56-48(83)42(77)37(72)29(19-66)92-56/h11,25-59,66-86H,10,12-23H2,1-9H3 ChemAxon inchikey SKEFDZGMYDGFOO-UHFFFAOYSA-N ChemAxon polar_surface_area 535.59 ChemAxon refractivity 327.15 ChemAxon polarizability 147.47 ChemAxon rotatable_bond_count 20 ChemAxon acceptor_count 33 ChemAxon donor_count 21 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 131078 Specdb::NmrOneD 131079 Specdb::NmrOneD 131080 Specdb::NmrOneD 131081 Specdb::NmrOneD 131082 Specdb::NmrOneD 131083 Specdb::NmrOneD 131084 Specdb::NmrOneD 131085 Specdb::NmrOneD 131086 Specdb::NmrOneD 131087 Specdb::NmrOneD 131088 Specdb::NmrOneD 131089 Specdb::NmrOneD 131090 Specdb::NmrOneD 131091 Specdb::NmrOneD 131092 Specdb::NmrOneD 131093 Specdb::NmrOneD 131094 Specdb::NmrOneD 131095 Specdb::NmrOneD 131096 Specdb::NmrOneD 131097 Specdb::MsMs 9278 Specdb::MsMs 9279 Specdb::MsMs 9280 Specdb::MsMs 15950 Specdb::MsMs 15951 Specdb::MsMs 15952 Specdb::MsMs 2699758 Specdb::MsMs 2699759 Specdb::MsMs 2699760 Specdb::MsMs 3005964 Specdb::MsMs 3005965 Specdb::MsMs 3005966 HMDB35350 #<Reference:0x000055ce306254e0> Fruits Unknown generic