[5-Acetyloxy-2-[3-[5,7-diacetyloxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]-4-methoxyphenyl]-4-oxochromen-7-yl] acetate
PubChem CID: 163025699
Connections displayed (default: 10).
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| Topological Polar Surface Area | 176.0 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 54.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1530.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [5-acetyloxy-2-[3-[5,7-diacetyloxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]-4-methoxyphenyl]-4-oxochromen-7-yl] acetate |
| Prediction Hob | 0.0 |
| Xlogp | 5.0 |
| Molecular Formula | C40H30O14 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RRPFUSZSURIJPZ-UHFFFAOYSA-N |
| Fcsp3 | 0.15 |
| Logs | -6.725 |
| Rotatable Bond Count | 13.0 |
| Logd | 2.116 |
| Compound Name | [5-Acetyloxy-2-[3-[5,7-diacetyloxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]-4-methoxyphenyl]-4-oxochromen-7-yl] acetate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 734.164 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 734.164 |
| Hydrogen Bond Acceptor Count | 14.0 |
| Molecular Weight | 734.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.142647718518519 |
| Inchi | InChI=1S/C40H30O14/c1-19(41)49-26-14-33(50-20(2)42)38-28(45)16-32(53-34(38)15-26)24-9-12-30(48-6)27(13-24)37-35(51-21(3)43)18-36(52-22(4)44)39-29(46)17-31(54-40(37)39)23-7-10-25(47-5)11-8-23/h7-18H,1-6H3 |
| Smiles | CC(=O)OC1=CC2=C(C(=C1)OC(=O)C)C(=O)C=C(O2)C3=CC(=C(C=C3)OC)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