Oliganthin C
PubChem CID: 57345553
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| Compound Synonyms | Oliganthin C, CHEMBL2013056, 3,6,8-trihydroxy-1,1,3,7-tetrakis(3-methylbut-2-enyl)xanthene-2,4,9-trione, 1367348-95-5 |
|---|---|
| Topological Polar Surface Area | 121.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 40.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1180.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,6,8-trihydroxy-1,1,3,7-tetrakis(3-methylbut-2-enyl)xanthene-2,4,9-trione |
| Prediction Hob | 0.0 |
| Xlogp | 7.9 |
| Molecular Formula | C33H40O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YESGPFGMANPCDL-UHFFFAOYSA-N |
| Fcsp3 | 0.4242424242424242 |
| Logs | -3.422 |
| Rotatable Bond Count | 8.0 |
| Logd | 4.451 |
| Compound Name | Oliganthin C |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 548.277 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 548.277 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 548.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.5292912 |
| Inchi | InChI=1S/C33H40O7/c1-18(2)9-10-22-23(34)17-24-25(27(22)35)28(36)26-29(40-24)30(37)33(39,16-13-21(7)8)31(38)32(26,14-11-19(3)4)15-12-20(5)6/h9,11-13,17,34-35,39H,10,14-16H2,1-8H3 |
| Smiles | CC(=CCC1=C(C2=C(C=C1O)OC3=C(C2=O)C(C(=O)C(C3=O)(CC=C(C)C)O)(CC=C(C)C)CC=C(C)C)O)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Garcinia Oligantha (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all