1.0 2010-04-08 22:14:05 UTC 2019-11-26 03:17:00 UTC FDB019031 Guavin C Isolated from Psidium guajava (guava). Guavin C is found in fruits and guava. Guavin C C51H38O30 1130.8294 1130.144789876 (10R,11R)-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-10-[(4S,5S,14R,15S,19R)-3,3,4,8,9-pentahydroxy-2,12,17-trioxo-19-[(2R,3S)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl]-13,16,20-trioxapentacyclo[13.3.1.1^{4,7}.0^{5,18}.0^{6,11}]icosa-1(18),6,8,10-tetraen-14-yl]-9,13-dioxatricyclo[13.4.0.0^{2,7}]nonadeca-1(19),2,4,6,15,17-hexaen-11-yl acetate (10R,11R)-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-10-[(4S,5S,14R,15S,19R)-3,3,4,8,9-pentahydroxy-2,12,17-trioxo-19-[(2R,3S)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl]-13,16,20-trioxapentacyclo[13.3.1.1^{4,7}.0^{5,18}.0^{6,11}]icosa-1(18),6,8,10-tetraen-14-yl]-9,13-dioxatricyclo[13.4.0.0^{2,7}]nonadeca-1(19),2,4,6,15,17-hexaen-11-yl acetate 105581-31-5 [H][C@@]12C3=C4C=C(O)C(O)=C3O[C@]1(O)C(O)(O)C(=O)C1=C2C(=O)O[C@H]([C@@H](OC4=O)[C@@H]2OC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(C=C(O)C(O)=C3O)C(=O)OC[C@H]2OC(C)=O)[C@]1([H])C1=C2O[C@@H]([C@@H](O)CC2=C(O)C=C1O)C1=CC(O)=C(O)C(O)=C1 InChI=1S/C51H38O30/c1-10(52)76-24-9-75-46(68)13-5-20(57)34(62)37(65)25(13)26-14(6-21(58)35(63)38(26)66)47(69)78-41(24)44-43-29(28-17(54)8-16(53)12-4-23(60)39(77-40(12)28)11-2-18(55)33(61)19(56)3-11)30-31(49(71)79-43)32-27-15(48(70)80-44)7-22(59)36(64)42(27)81-51(32,74)50(72,73)45(30)67/h2-3,5-8,23-24,29,32,39,41,43-44,53-66,72-74H,4,9H2,1H3/t23-,24+,29+,32-,39+,41+,43-,44-,51-/m0/s1 WHRSRDKZTDJREL-SFNGOSAXSA-N belongs to the class of organic compounds known as complex tannins. These are tannins made of a catechin bound to a gallotannin or elagitannin. Complex tannins Organic compounds Phenylpropanoids and polyketides Tannins Complex tannins Aromatic heteropolycyclic compounds 1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 3-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids 8-prenylated flavans Alkyl aryl ethers Carbonyl hydrates Coumarans Cyclohexenones Dihydropyranones Enoate esters Epigallocatechins Gallic acid and derivatives Hemiacetals Hydrocarbon derivatives Lactones Organic oxides Oxacyclic compounds Pentacarboxylic acids and derivatives Polyols Pyrogallols and derivatives Secondary alcohols 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 3-hydroxyflavonoid 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid 8-prenylated flavan Alcohol Alkyl aryl ether Alpha,beta-unsaturated carboxylic ester Aromatic heteropolycyclic compound Benzenetriol Benzenoid Benzopyran Carbonyl group Carbonyl hydrate Carboxylic acid derivative Carboxylic acid ester Catechin Chromane Complex tannin Coumaran Cyclohexenone Dihydropyranone Dihydroxybenzoic acid Enoate ester Epigallocatechin Ether Flavan Flavan-3-ol Gallic acid or derivatives Hemiacetal Hydrocarbon derivative Hydroxyflavonoid Ketone Lactone Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pentacarboxylic acid or derivatives Phenol Polyol Pyran Pyrogallol derivative Secondary alcohol logp 2.70 ALOGPS logs -2.36 ALOGPS solubility 4.95e+00 g/l ALOGPS logp 1.89 ChemAxon pka_strongest_acidic 7.47 ChemAxon pka_strongest_basic -5.6 ChemAxon iupac (10R,11R)-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-10-[(4S,5S,14R,15S,19R)-3,3,4,8,9-pentahydroxy-2,12,17-trioxo-19-[(2R,3S)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl]-13,16,20-trioxapentacyclo[13.3.1.1^{4,7}.0^{5,18}.0^{6,11}]icosa-1(18),6,8,10-tetraen-14-yl]-9,13-dioxatricyclo[13.4.0.0^{2,7}]nonadeca-1(19),2,4,6,15,17-hexaen-11-yl acetate ChemAxon average_mass 1130.8294 ChemAxon mono_mass 1130.144789876 ChemAxon smiles [H][C@@]12C3=C4C=C(O)C(O)=C3O[C@]1(O)C(O)(O)C(=O)C1=C2C(=O)O[C@H]([C@@H](OC4=O)[C@@H]2OC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(C=C(O)C(O)=C3O)C(=O)OC[C@H]2OC(C)=O)[C@]1([H])C1=C2O[C@@H]([C@@H](O)CC2=C(O)C=C1O)C1=CC(O)=C(O)C(O)=C1 ChemAxon formula C51H38O30 ChemAxon inchi InChI=1S/C51H38O30/c1-10(52)76-24-9-75-46(68)13-5-20(57)34(62)37(65)25(13)26-14(6-21(58)35(63)38(26)66)47(69)78-41(24)44-43-29(28-17(54)8-16(53)12-4-23(60)39(77-40(12)28)11-2-18(55)33(61)19(56)3-11)30-31(49(71)79-43)32-27-15(48(70)80-44)7-22(59)36(64)42(27)81-51(32,74)50(72,73)45(30)67/h2-3,5-8,23-24,29,32,39,41,43-44,53-66,72-74H,4,9H2,1H3/t23-,24+,29+,32-,39+,41+,43-,44-,51-/m0/s1 ChemAxon inchikey WHRSRDKZTDJREL-SFNGOSAXSA-N ChemAxon polar_surface_area 510.94 ChemAxon refractivity 257.25 ChemAxon polarizability 101.35 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 25 ChemAxon donor_count 17 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon HMDB39435 #<Reference:0x00007f093c03b4d8> Fruits Unknown generic Guava Type 1 specific Psidium guajava 120290