(3S,3aR,6R,6aR)-6-methoxy-3,6-bis(3,4,5-trimethoxyphenyl)-3,3a,4,6a-tetrahydro-1H-furo[3,4-c]furan
PubChem CID: 10457689
Connections displayed (default: 10).
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| Topological Polar Surface Area | 83.1 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 34.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 622.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (3S,3aR,6R,6aR)-6-methoxy-3,6-bis(3,4,5-trimethoxyphenyl)-3,3a,4,6a-tetrahydro-1H-furo[3,4-c]furan |
| Prediction Hob | 0.0 |
| Xlogp | 2.7 |
| Molecular Formula | C25H32O9 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WNBKPKUETXQBPU-LWIQQOSISA-N |
| Fcsp3 | 0.52 |
| Logs | -4.357 |
| Rotatable Bond Count | 9.0 |
| Logd | 2.91 |
| Compound Name | (3S,3aR,6R,6aR)-6-methoxy-3,6-bis(3,4,5-trimethoxyphenyl)-3,3a,4,6a-tetrahydro-1H-furo[3,4-c]furan |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 476.205 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 476.205 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 476.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.131112870588236 |
| Inchi | InChI=1S/C25H32O9/c1-26-18-8-14(9-19(27-2)23(18)30-5)22-16-12-34-25(32-7,17(16)13-33-22)15-10-20(28-3)24(31-6)21(11-15)29-4/h8-11,16-17,22H,12-13H2,1-7H3/t16-,17-,22+,25-/m0/s1 |
| Smiles | COC1=CC(=CC(=C1OC)OC)[C@@H]2[C@H]3CO[C@]([C@H]3CO2)(C4=CC(=C(C(=C4)OC)OC)OC)OC |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Annua (Plant) Rel Props:Source_db:cmaup_ingredients