9-[2-[3-Hydroxy-4-(4-methoxy-7-oxofuro[3,2-g]chromen-9-yl)oxy-2-methylbutan-2-yl]oxy-3-methylbut-3-enoxy]-4-methoxyfuro[3,2-g]chromen-7-one
PubChem CID: 11050454
Connections displayed (default: 10).
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| Topological Polar Surface Area | 145.0 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 46.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1200.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 9-[2-[3-hydroxy-4-(4-methoxy-7-oxofuro[3,2-g]chromen-9-yl)oxy-2-methylbutan-2-yl]oxy-3-methylbut-3-enoxy]-4-methoxyfuro[3,2-g]chromen-7-one |
| Prediction Hob | 0.0 |
| Xlogp | 5.4 |
| Molecular Formula | C34H32O12 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JXAVUIQDQXFQNF-UHFFFAOYSA-N |
| Fcsp3 | 0.2941176470588235 |
| Logs | -4.24 |
| Rotatable Bond Count | 12.0 |
| Logd | 3.184 |
| Compound Name | 9-[2-[3-Hydroxy-4-(4-methoxy-7-oxofuro[3,2-g]chromen-9-yl)oxy-2-methylbutan-2-yl]oxy-3-methylbut-3-enoxy]-4-methoxyfuro[3,2-g]chromen-7-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 632.189 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 632.189 |
| Hydrogen Bond Acceptor Count | 12.0 |
| Molecular Weight | 632.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.68629246956522 |
| Inchi | InChI=1S/C34H32O12/c1-17(2)22(15-42-32-28-20(11-13-40-28)26(38-5)18-7-9-24(36)44-30(18)32)46-34(3,4)23(35)16-43-33-29-21(12-14-41-29)27(39-6)19-8-10-25(37)45-31(19)33/h7-14,22-23,35H,1,15-16H2,2-6H3 |
| Smiles | CC(=C)C(COC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)OC(C)(C)C(COC4=C5C(=C(C6=C4OC(=O)C=C6)OC)C=CO5)O |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Dahurica (Plant) Rel Props:Source_db:cmaup_ingredients