Oliganthin D
PubChem CID: 57345561
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| Compound Synonyms | Oliganthin D, 5,9-dihydroxy-2,2-dimethyl-7,7-bis(3-methylbut-2-enyl)-9-(2-oxopropyl)pyrano(3,2-b)xanthene-6,8,10-trione, 5,9-dihydroxy-2,2-dimethyl-7,7-bis(3-methylbut-2-enyl)-9-(2-oxopropyl)pyrano[3,2-b]xanthene-6,8,10-trione, CHEMBL2013057, 1367348-96-6 |
|---|---|
| Topological Polar Surface Area | 127.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 39.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1200.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,9-dihydroxy-2,2-dimethyl-7,7-bis(3-methylbut-2-enyl)-9-(2-oxopropyl)pyrano[3,2-b]xanthene-6,8,10-trione |
| Prediction Hob | 0.0 |
| Xlogp | 5.5 |
| Molecular Formula | C31H34O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VDCUEILRTFTERJ-UHFFFAOYSA-N |
| Fcsp3 | 0.4193548387096774 |
| Logs | -3.783 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.712 |
| Compound Name | Oliganthin D |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 534.225 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 534.225 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 534.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.0667945897435915 |
| Inchi | InChI=1S/C31H34O8/c1-16(2)8-12-30(13-9-17(3)4)23-25(34)22-21(14-20-19(24(22)33)10-11-29(6,7)39-20)38-26(23)27(35)31(37,28(30)36)15-18(5)32/h8-11,14,33,37H,12-13,15H2,1-7H3 |
| Smiles | CC(=CCC1(C2=C(C(=O)C(C1=O)(CC(=O)C)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;npass_chem_all