1.0 2010-04-08 22:10:35 UTC 2019-11-26 03:08:08 UTC FDB013217 (E)-Resveratrol 4'-(6''-galloylglucoside) Isol from coml. Japanese rhubarbs (Rheum subspecies). (E)-Resveratrol 4'-(6''-galloylglucoside) is found in green vegetables. (E)-Resveratrol 4'-(6''-galloylglucoside) Resveratrol 4'-(6-galloylglucoside) C27H26O12 542.4881 542.142426296 (6-{4-[(Z)-2-(3,5-dihydroxyphenyl)ethenyl]phenoxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3,4,5-trihydroxybenzoate (6-{4-[(Z)-2-(3,5-dihydroxyphenyl)ethenyl]phenoxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3,4,5-trihydroxybenzoate 64898-03-9 OC1C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC2=CC=C(\C=C/C3=CC(O)=CC(O)=C3)C=C2)C(O)C1O InChI=1S/C27H26O12/c28-16-7-14(8-17(29)11-16)2-1-13-3-5-18(6-4-13)38-27-25(35)24(34)23(33)21(39-27)12-37-26(36)15-9-19(30)22(32)20(31)10-15/h1-11,21,23-25,27-35H,12H2/b2-1- HQQSMUBDNVIUPF-UPHRSURJSA-N belongs to the class of organic compounds known as scalarane sesterterpenoids. These are sesterterpenoids with a structure based on the scalarane backbone. Scalarane is a tetracyclic compound, which is similar the homoandrostane with five methyl groups at the 4-, 4-, 8-, 17-, 17a-positions. Scalarane sesterterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Sesterterpenoids Aliphatic homopolycyclic compounds Cyclic alcohols and derivatives Hydrocarbon derivatives Primary alcohols Secondary alcohols Alcohol Aliphatic homopolycyclic compound Cyclic alcohol Hydrocarbon derivative Organic oxygen compound Organooxygen compound Primary alcohol Scalarane sesterterpenoid Secondary alcohol logp 2.18 ALOGPS logs -3.51 ALOGPS solubility 1.67e-01 g/l ALOGPS melting_point Mp 258° logp 2.72 ChemAxon pka_strongest_acidic 8.07 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac (6-{4-[(Z)-2-(3,5-dihydroxyphenyl)ethenyl]phenoxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3,4,5-trihydroxybenzoate ChemAxon average_mass 542.4881 ChemAxon mono_mass 542.142426296 ChemAxon smiles OC1C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC2=CC=C(\C=C/C3=CC(O)=CC(O)=C3)C=C2)C(O)C1O ChemAxon formula C27H26O12 ChemAxon inchi InChI=1S/C27H26O12/c28-16-7-14(8-17(29)11-16)2-1-13-3-5-18(6-4-13)38-27-25(35)24(34)23(33)21(39-27)12-37-26(36)15-9-19(30)22(32)20(31)10-15/h1-11,21,23-25,27-35H,12H2/b2-1- ChemAxon inchikey HQQSMUBDNVIUPF-UPHRSURJSA-N ChemAxon polar_surface_area 206.6 ChemAxon refractivity 135.36 ChemAxon polarizability 52.84 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 11 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23912 Specdb::CMs 43998 Specdb::CMs 269603 Specdb::CMs 269604 Specdb::CMs 269605 Specdb::CMs 269606 Specdb::CMs 269607 Specdb::CMs 269608 Specdb::CMs 269609 Specdb::CMs 269610 Specdb::CMs 269611 Specdb::CMs 269612 Specdb::CMs 269613 Specdb::CMs 269614 Specdb::CMs 269615 Specdb::CMs 269616 Specdb::CMs 269617 Specdb::CMs 269618 Specdb::CMs 269619 Specdb::CMs 269620 Specdb::CMs 269621 Specdb::CMs 269622 Specdb::CMs 269623 Specdb::CMs 269624 Specdb::CMs 269625 Specdb::MsMs 88698 Specdb::MsMs 88699 Specdb::MsMs 88700 Specdb::MsMs 151485 Specdb::MsMs 151486 Specdb::MsMs 151487 Specdb::MsMs 2282653 Specdb::MsMs 2282654 Specdb::MsMs 2282655 Specdb::MsMs 3086599 Specdb::MsMs 3086600 Specdb::MsMs 3086601 HMDB34687 #<Reference:0x000055ce324e0380> Green vegetables Unknown generic