2,4-Dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxybenzoic acid
PubChem CID: 5316679
Connections displayed (default: 10).
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| Topological Polar Surface Area | 165.0 |
|---|---|
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 442.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,4-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxybenzoic acid |
| Prediction Hob | 0.0 |
| Xlogp | 1.8 |
| Molecular Formula | C14H10O9 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QEKBODZRCRMMTC-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -2.699 |
| Rotatable Bond Count | 4.0 |
| Logd | 1.881 |
| Compound Name | 2,4-Dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxybenzoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 322.032 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 322.032 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 322.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.0561323565217395 |
| Inchi | InChI=1S/C14H10O9/c15-7-2-1-6(13(20)21)10(18)12(7)23-14(22)5-3-8(16)11(19)9(17)4-5/h1-4,15-19H,(H,20,21) |
| Smiles | C1=CC(=C(C(=C1C(=O)O)O)OC(=O)C2=CC(=C(C(=C2)O)O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Koelreuteria Paniculata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Mangifera Indica (Plant) Rel Props:Source_db:cmaup_ingredients