| Phytochemical Name : Gallotannin |
| PCNDIDG0012 |
| Pubchem CID : 16129778 |
| Molecular formula: C76H52O46 |
| Canonical SMILES : C1=C(C=C(C(=C1O)O)O)C(=O)OC2=CC(=CC(=C2O)O)C(=O)OCC3C(C(C(C(O3)OC(=O)C4=CC(=C(C(=C4)OC(=O)C5=CC(=C(C(=C5)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6)OC(=O)C7=CC(=C(C(=C7)O)O)O)O)O)OC(=O)C8=CC(=C(C(=C8)OC(=O)C9=CC(=C(C(=C9)O)O)O)O)O)OC(=O)C1=CC(=C(C(=C1)OC(=O)C1=CC(=C(C(=C1)O)O)O)O)O |
Synonymes : TANNIC ACID|1401-55-4|Gallotannin|Glycerite|5424-20-4|Gallotannic acid|Chinese gallotannin|MFCD00066397|MLS001335996|CHEBI:81066|EINECS 226-562-9|[2,3-dihydroxy-5-[[(2R,3R,4S,5R,6S)-3,4,5,6-tetrakis[[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxybenzoyl]oxy]oxan-2-yl]methoxycarbonyl]phenyl] 3,4,5-trihydroxybenzoate|SMR000857330|C76H52O46|DSSTox_CID_6076|DSSTox_RID_78006|DSSTox_GSID_26076|Taninos|Tannins|[2,3-Dihydroxy-5-[[3,4,5,6-tetrakis[[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxybenzoyl]oxy]oxan-2-yl]methoxycarbonyl]phenyl] 3,4,5-trihydroxybenzoate|Tannicum acidum|Acide tannique|FEMA No. 3042|Acid, tannic|d'Acide tannique|Tannin from mimosa|Tannin from chestnut|Tannin from quebracho|Liquidambar styraciflua|Caswell No. 819|beta-D-Glucose pentakis(3,4-dihydroxy-5-((3,4,5-trihydroxybenzoyl)oxy)benzoate)|BETA-D-GLUCOSE PENTAKIS[3,4-DIHYDROXY-5-[(3,4,5-TRIHYDROXYBENZOYL)OXY]BENZOATE]|Tannic acid and tannins|Acacia mollissima tannin|TNA (CHRIS Code)|CAS-1401-55-4|Acide tannique [French]|Schinopsis lorentzii tannin|d'Acide tannique [French]|Castanea sativa Mill tannin|UNII-28F9E0DJY6|Tannic acid (Quercus spp.)|CCRIS 571|HSDB 831|UNII-2711I21VE5|tannic-acid|EINECS 215-753-2|NSC656273|EPA Pesticide Chemical Code 078502|NSC 656273|NSC-656273|NSC-758670|Tannic acid (hydrolyzable gallotannins)|C76-H52-O46|NCGC00095101-01|TANNICACID|Tannin (Tannic acid)|Asian holly oak nutgall|Tannic acid, ACS reagent|D0R4WJ|Tannic acid, technical grade|MLS001335995|SCHEMBL409692|Tannic acid, SAJ first grade|CHEMBL506247|GTPL4319|BDBM60986|DTXSID00892987|Tannic acid, puriss., 95.0%|cid_16129778|Tox21_111422|Tox21_300079|BDBM50442879|s3951|AKOS015951319|Tannic acid, Vetec(TM) reagent grade|CCG-270692|NCGC00186054-01|NCGC00186054-02|NCGC00253925-01|Tannic acid, tested according to Ph.Eur.|C17409|Tannic acid, Source: Chinese natural gall nuts|A901485|Q427956|Q-201780|Tannic acid, puriss., meets analytical specification of USP, powder|Tannic acid, United States Pharmacopeia (USP) Reference Standard|.Beta.-D-glucopyranose, pentakis[3,4-dihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]benzoate]|beta-D-Glucopyranose pentakis[3,4-dihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]benzoate]|(2R,3R,4S,5R,6S)-4,5,6-tris({3,4-dihydroxy-5-[(3,4,5-trihydroxyphenyl)carbonyloxy]phenyl}carbonyloxy)-2-[({3,4-dihydroxy-5-[(3,4,5-trihydroxyphenyl)carbonyloxy]phenyl}carbonyloxy)methyl]oxan-3-yl 3,4-dihydroxy-5-[(3,4,5-trihydroxyphenyl)carbonyloxy]benzoate|(2S,3R,4S,5R,6R)-6-(((3,4-Dihydroxy-5-((3,4,5-trihydroxybenzoyl)oxy)benzoyl)oxy)methyl)tetrahydro-2H-pyran-2,3,4,5-tetrayl tetrakis(3,4-dihydroxy-5-((3,4,5-trihydroxybenzoyl)oxy)benzoate)|[2,3-dihydroxy-5-[[(2R,3R,4S,5R,6S)-3,4,5,6-tetrakis[[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxy-benzoyl]oxy]tetrahydropyran-2-yl]methoxycarbonyl]phenyl] 3,4,5-trihydroxybenzoate|[2,3-dihydroxy-5-[[(2R,3R,4S,5R,6S)-3,4,5,6-tetrakis[[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxybenzoyl]oxy]oxan-2-yl]methoxycarbonyl]phenyl]3,4,5-trihydroxybenzoate |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 0.000 |
| Log Po/w (XLOGP3) : 0.000 |
| Log Po/w (WLOGP) : 0.000 |
| Log Po/w (MLOGP) : 0.000 |
| Log Po/w (SILICOS-IT) : 0.000 |
| Consensus Log Po/w : 0.000 |
| Log S (ESOL) : 0.000 |
| Solubility : mg/ml; mol/l |
| Class : |
| Log S (Ali) : 0.000 |
| Solubility : mg/ml; mol/l |
| Class : |
| Log S (SILICOS-IT) : 0.000 |
| Solubility : mg/ml; mol/l |
| Class : |