2,3,5,6-tetramethoxy-4-[(2S)-5,6,7,8-tetramethoxy-3,4-dimethyl-2H-chromen-2-yl]phenol
PubChem CID: 162914338
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| Topological Polar Surface Area | 103.0 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 35.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 696.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 2,3,5,6-tetramethoxy-4-[(2S)-5,6,7,8-tetramethoxy-3,4-dimethyl-2H-chromen-2-yl]phenol |
| Prediction Hob | 0.0 |
| Xlogp | 3.2 |
| Molecular Formula | C25H32O10 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HERQJJSBUPWBKK-INIZCTEOSA-N |
| Fcsp3 | 0.44 |
| Logs | -3.624 |
| Rotatable Bond Count | 9.0 |
| Logd | 2.863 |
| Compound Name | 2,3,5,6-tetramethoxy-4-[(2S)-5,6,7,8-tetramethoxy-3,4-dimethyl-2H-chromen-2-yl]phenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 492.2 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 492.2 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 492.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.5693444857142875 |
| Inchi | InChI=1S/C25H32O10/c1-11-12(2)16(14-18(28-4)21(30-6)15(26)22(31-7)19(14)29-5)35-20-13(11)17(27-3)23(32-8)25(34-10)24(20)33-9/h16,26H,1-10H3/t16-/m0/s1 |
| Smiles | CC1=C(C2=C(C(=C(C(=C2OC)OC)OC)OC)O[C@@H]1C3=C(C(=C(C(=C3OC)OC)O)OC)OC)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pyrola Japonica (Plant) Rel Props:Source_db:cmaup_ingredients