1.0 2010-04-08 22:13:57 UTC 2025-11-19 02:15:00 UTC FDB018811 Guavin A A tannin constituent of the leaf of Psidium guajava (guava). Guavin A is found in fruits and guava. C56H40O32 1224.8976 1224.150269184 (10R,11R)-10-[(4S,5S,14R,15S,19R)-19-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-3,3,4,8,9-pentahydroxy-2,12,17-trioxo-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]-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.0^{2,7}]nonadeca-1(19),2,4,6,15,17-hexaen-11-yl 3,4,5-trihydroxybenzoate (10R,11R)-10-[(4S,5S,14R,15S,19R)-19-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-3,3,4,8,9-pentahydroxy-2,12,17-trioxo-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]-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.0^{2,7}]nonadeca-1(19),2,4,6,15,17-hexaen-11-yl 3,4,5-trihydroxybenzoate 105581-34-8 [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(=O)C2=CC(O)=C(O)C(O)=C2)[C@]1([H])C1=C2O[C@@H]([C@@H](O)CC2=C(O)C=C1O)C1=CC(O)=C(O)C=C1 InChI=1S/C56H40O32/c57-18-2-1-12(3-20(18)59)43-27(66)6-14-19(58)10-21(60)32(44(14)84-43)33-34-35-36-31-17(9-26(65)40(70)46(31)88-56(36,81)55(79,80)49(34)73)53(77)87-48(47(33)86-54(35)78)45-28(83-50(74)13-4-22(61)37(67)23(62)5-13)11-82-51(75)15-7-24(63)38(68)41(71)29(15)30-16(52(76)85-45)8-25(64)39(69)42(30)72/h1-5,7-10,27-28,33,36,43,45,47-48,57-72,79-81H,6,11H2/t27-,28+,33+,36-,43+,45+,47-,48-,56-/m0/s1 DOMGXWDOTMOBEH-IFNRHMFZSA-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 Benzoyl derivatives Carbonyl hydrates Catechins Catechols Coumarans Cyclohexenones Dihydropyranones Enoate esters Galloyl esters Hemiacetals Hydrocarbon derivatives Lactones Organic oxides Oxacyclic compounds Pentacarboxylic acids and derivatives Polyols Pyrogallols and derivatives Secondary alcohols m-Hydroxybenzoic acid esters p-Hydroxybenzoic acid alkyl esters 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 Benzoate ester Benzoic acid or derivatives Benzopyran Benzoyl Carbonyl group Carbonyl hydrate Carboxylic acid derivative Carboxylic acid ester Catechin Catechol Chromane Complex tannin Coumaran Cyclohexenone Dihydropyranone Dihydroxybenzoic acid Enoate ester Ether Flavan Flavan-3-ol Gallic acid or derivatives Galloyl ester Hemiacetal Hydrocarbon derivative Hydroxyflavonoid Ketone Lactone M-hydroxybenzoic acid ester Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle P-hydroxybenzoic acid alkyl ester P-hydroxybenzoic acid ester Pentacarboxylic acid or derivatives Phenol Polyol Pyran Pyrogallol derivative Secondary alcohol logp 2.98 ALOGPS logs -2.57 ALOGPS solubility 3.32e+00 g/l ALOGPS logp 3.34 ChemAxon pka_strongest_acidic 7.4 ChemAxon pka_strongest_basic -5.6 ChemAxon iupac (10R,11R)-10-[(4S,5S,14R,15S,19R)-19-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-3,3,4,8,9-pentahydroxy-2,12,17-trioxo-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]-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.0^{2,7}]nonadeca-1(19),2,4,6,15,17-hexaen-11-yl 3,4,5-trihydroxybenzoate ChemAxon average_mass 1224.8976 ChemAxon mono_mass 1224.150269184 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(=O)C2=CC(O)=C(O)C(O)=C2)[C@]1([H])C1=C2O[C@@H]([C@@H](O)CC2=C(O)C=C1O)C1=CC(O)=C(O)C=C1 ChemAxon formula C56H40O32 ChemAxon inchi InChI=1S/C56H40O32/c57-18-2-1-12(3-20(18)59)43-27(66)6-14-19(58)10-21(60)32(44(14)84-43)33-34-35-36-31-17(9-26(65)40(70)46(31)88-56(36,81)55(79,80)49(34)73)53(77)87-48(47(33)86-54(35)78)45-28(83-50(74)13-4-22(61)37(67)23(62)5-13)11-82-51(75)15-7-24(63)38(68)41(71)29(15)30-16(52(76)85-45)8-25(64)39(69)42(30)72/h1-5,7-10,27-28,33,36,43,45,47-48,57-72,79-81H,6,11H2/t27-,28+,33+,36-,43+,45+,47-,48-,56-/m0/s1 ChemAxon inchikey DOMGXWDOTMOBEH-IFNRHMFZSA-N ChemAxon polar_surface_area 551.4 ChemAxon refractivity 281.88 ChemAxon polarizability 110.07 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 27 ChemAxon donor_count 19 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon HMDB39269 #<Reference:0x000055ce33490280> Fruits Unknown generic Guava Type 1 specific Psidium guajava 120290