Aloesaponarin I
PubChem CID: 11098986
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| Compound Synonyms | aloesaponarin I, 53254-89-0, methyl 3,8-dihydroxy-1-methyl-9,10-dioxoanthracene-2-carboxylate, CHEMBL470819, SCHEMBL13317456, DTXSID701037176, DB-301468, 1-Methyl-3,8-dihydroxy-9,10-dihydro-9,10-dioxoanthracene-2-carboxylic acid methyl ester, Methyl 3,8-dihydroxy-1-methyl-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid |
|---|---|
| Topological Polar Surface Area | 101.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | OWMIPWWYWUGBCG-UHFFFAOYSA-N |
| Rotatable Bond Count | 2.0 |
| Heavy Atom Count | 23.0 |
| Compound Name | Aloesaponarin I |
| Exact Mass | 312.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 312.063 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 529.0 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 312.27 |
| Database Name | npass_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl 3,8-dihydroxy-1-methyl-9,10-dioxoanthracene-2-carboxylate |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C17H12O6/c1-7-12-9(6-11(19)13(7)17(22)23-2)15(20)8-4-3-5-10(18)14(8)16(12)21/h3-6,18-19H,1-2H3 |
| Smiles | CC1=C2C(=CC(=C1C(=O)OC)O)C(=O)C3=C(C2=O)C(=CC=C3)O |
| Xlogp | 3.5 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C17H12O6 |
- 1. Outgoing r'ship
FOUND_INto/from Scutia Myrtina (Plant) Rel Props:Source_db:npass_chem_all