[2-[5,7-Diacetyloxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]-4-(5,7-diacetyloxy-4-oxochromen-2-yl)phenyl] acetate
PubChem CID: 163022277
Connections displayed (default: 10).
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| Topological Polar Surface Area | 193.0 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 56.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1620.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [2-[5,7-diacetyloxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]-4-(5,7-diacetyloxy-4-oxochromen-2-yl)phenyl] acetate |
| Prediction Hob | 0.0 |
| Xlogp | 4.8 |
| Molecular Formula | C41H30O15 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IBBBRKRQWAUZPE-UHFFFAOYSA-N |
| Fcsp3 | 0.1463414634146341 |
| Logs | -6.73 |
| Rotatable Bond Count | 14.0 |
| Logd | 2.049 |
| Compound Name | [2-[5,7-Diacetyloxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]-4-(5,7-diacetyloxy-4-oxochromen-2-yl)phenyl] acetate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 762.158 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 762.158 |
| Hydrogen Bond Acceptor Count | 15.0 |
| Molecular Weight | 762.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.096048342857143 |
| Inchi | InChI=1S/C41H30O15/c1-19(42)50-27-14-34(52-21(3)44)39-29(47)16-33(55-35(39)15-27)25-9-12-31(51-20(2)43)28(13-25)38-36(53-22(4)45)18-37(54-23(5)46)40-30(48)17-32(56-41(38)40)24-7-10-26(49-6)11-8-24/h7-18H,1-6H3 |
| Smiles | CC(=O)OC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3OC(=O)C)OC(=O)C)C4=C(C=C(C5=C4OC(=CC5=O)C6=CC=C(C=C6)OC)OC(=O)C)OC(=O)C |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artabotrys Hexapetalus (Plant) Rel Props:Source_db:cmaup_ingredients