Oliganthin A
PubChem CID: 135981986
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| Compound Synonyms | Oliganthin A, 5,9,10-trihydroxy-2,2-dimethyl-7,7-bis(3-methylbut-2-enyl)pyrano(3,2-b)xanthene-6,8-dione, 5,9,10-trihydroxy-2,2-dimethyl-7,7-bis(3-methylbut-2-enyl)pyrano[3,2-b]xanthene-6,8-dione, CHEMBL2013054, 1367348-89-7 |
|---|---|
| Topological Polar Surface Area | 113.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 35.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1070.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,9,10-trihydroxy-2,2-dimethyl-7,7-bis(3-methylbut-2-enyl)pyrano[3,2-b]xanthene-6,8-dione |
| Prediction Hob | 0.0 |
| Xlogp | 5.6 |
| Molecular Formula | C28H30O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PBHSSDRLJOYTHW-UHFFFAOYSA-N |
| Fcsp3 | 0.3571428571428571 |
| Logs | -3.224 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.047 |
| Compound Name | Oliganthin A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 478.199 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 478.199 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 478.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.137482771428574 |
| Inchi | InChI=1S/C28H30O7/c1-14(2)7-11-28(12-8-15(3)4)20-22(30)19-18(34-25(20)23(31)24(32)26(28)33)13-17-16(21(19)29)9-10-27(5,6)35-17/h7-10,13,29,31-32H,11-12H2,1-6H3 |
| Smiles | CC(=CCC1(C2=C(C(=C(C1=O)O)O)OC3=CC4=C(C=CC(O4)(C)C)C(=C3C2=O)O)CC=C(C)C)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Garcinia Oligantha (Plant) Rel Props:Source_db:cmaup_ingredients