(6S,7S,8R)-5,6,7-trimethoxy-2,2-dimethyl-8-phenyl-7,8-dihydro-6H-pyrano[3,2-g]chromene
PubChem CID: 10475006
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| Topological Polar Surface Area | 46.2 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 555.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (6S,7S,8R)-5,6,7-trimethoxy-2,2-dimethyl-8-phenyl-7,8-dihydro-6H-pyrano[3,2-g]chromene |
| Prediction Hob | 1.0 |
| Xlogp | 3.7 |
| Molecular Formula | C23H26O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | KJAYHWJUSXOBJV-BAGYTPMASA-N |
| Fcsp3 | 0.391304347826087 |
| Logs | -4.724 |
| Rotatable Bond Count | 4.0 |
| Logd | 4.079 |
| Compound Name | (6S,7S,8R)-5,6,7-trimethoxy-2,2-dimethyl-8-phenyl-7,8-dihydro-6H-pyrano[3,2-g]chromene |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 382.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 382.178 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 382.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.589070057142857 |
| Inchi | InChI=1S/C23H26O5/c1-23(2)12-11-15-16(28-23)13-17-18(20(15)24-3)21(25-4)22(26-5)19(27-17)14-9-7-6-8-10-14/h6-13,19,21-22H,1-5H3/t19-,21+,22-/m1/s1 |
| Smiles | CC1(C=CC2=C(C3=C(C=C2O1)O[C@@H]([C@H]([C@H]3OC)OC)C4=CC=CC=C4)OC)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ventilago Leiocarpa (Plant) Rel Props:Source_db:cmaup_ingredients